prompt string | completion string | split string | pair_id string | ranking_query_id string | ranking_member_index int64 | ranking_candidate_row_count int64 | ranking_candidate_parent_count int64 | retrieval_parent_rank int64 | retrieval_parent_context_index int64 | retrieval_parent_context_count int64 | task_id string | source_id string | retrieval_strategy string | query_record_id string | retrieval_record_id string | query_benchmark_row_id string | retrieval_benchmark_row_id string | query_molecule_identity_key string | retrieval_molecule_identity_key string | query_smiles string | retrieval_smiles string | query_condition_group string | retrieval_condition_group string | query_condition_scope string | retrieval_condition_scope string | query_condition_atoms list | retrieval_condition_atoms list | candidate_context_relation string | query_source_record_count int64 | retrieval_source_record_count int64 | query_agreement_fraction float64 | retrieval_agreement_fraction float64 | query_gold_Y int64 | retrieval_gold_Y int64 | ranking_balance_label string | query_geometry_value float64 | retrieval_geometry_value float64 | absolute_geometry_difference float64 | calibration_sample_standard_deviation float64 | target_distribution dict | canonical_endpoint_key string | assay_concept string | measurement_kind string | metadata dict | absolute_canonical_value_difference float64 | standardized_canonical_value_difference float64 | sd_logistic_similarity float64 | target_train_sample_standard_deviation float64 | target_a float64 | target_b float64 | label_mode string | binary_label int64 | is_decisive bool | morgan_tanimoto_similarity float64 | graph_a_position int64 | graph_b_position int64 | graph_offset int64 | representation string | pair_bucket_key string | query_parent_id string | retrieval_parent_id string | query_scaffold string | retrieval_scaffold string | query_evidence dict | retrieval_evidence dict |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br</SMILE... | (A) | train | a35d2c164617823785f30dddd32a0c7e9eafe492fd73173a8a27af1c0f2b1f29 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | FSHJLZQAUQDGQC-UHFFFAOYSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.30103 | 1.361728 | 0.060698 | 0.515662 | {
"nontransfer": 0.056098430999864224,
"transfer": 0.9439015690001358
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.060698 | 0.117709 | 0.943902 | 0.515662 | 0.943902 | 0.056098 | numeric_record_level_only | 1 | true | 0.062992 | 9 | 8 | 1 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1</SMILES>
... | (A) | train | 95377c848d78c413e1e6d916c9a8471dc29cfa01f7f87453e3720f623b60ac75 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | FSHJLZQAUQDGQC-UHFFFAOYSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.30103 | 1.50515 | 0.20412 | 0.515662 | {
"nontransfer": 0.48960328297596245,
"transfer": 0.5103967170240375
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.20412 | 0.395841 | 0.510397 | 0.515662 | 0.510397 | 0.489603 | numeric_record_level_only | 1 | false | 0.056911 | 15 | 8 | 7 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.50514997832",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.505149978319906,
"aggregate_max": 1.505149978319906,
"a... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1</SMILES>
M... | (A) | train | d6b8f2f6079ef0aac518faa5f6b324ec6eb0bcb1b5df1375f1092f9b2c805f83 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | FSHJLZQAUQDGQC-UHFFFAOYSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.30103 | 1.230449 | 0.070581 | 0.515662 | {
"nontransfer": 0.06715391911787472,
"transfer": 0.9328460808821253
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.070581 | 0.136875 | 0.932846 | 0.515662 | 0.932846 | 0.067154 | numeric_record_level_only | 1 | true | 0.057851 | 17 | 8 | 9 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1</SMILES>
Measured va... | (A) | train | 1221b75bbc9a91ae19554a627347465e7e67f2a040d9cebeabe2e22eb360edf5 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | FSHJLZQAUQDGQC-UHFFFAOYSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.30103 | 1.255273 | 0.045757 | 0.515662 | {
"nontransfer": 0.04258864213420488,
"transfer": 0.9574113578657951
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.045757 | 0.088735 | 0.957411 | 0.515662 | 0.957411 | 0.042589 | numeric_record_level_only | 1 | true | 0.071429 | 4 | 8 | 17 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc(CCCCNCc2ccccc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.2552725051",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.255272505103306,
"aggregate_max": 1.255272505103306,
"ag... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)c... | (A) | train | 75b3b50f9f006719f6752bd06d98a12542ea1b5917a3c6fdd156d369f7bff8a8 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | FSHJLZQAUQDGQC-UHFFFAOYSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.30103 | 1.278754 | 0.022276 | 0.515662 | {
"nontransfer": 0.02743802746602486,
"transfer": 0.9725619725339751
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.022276 | 0.0432 | 0.972562 | 0.515662 | 0.972562 | 0.027438 | numeric_record_level_only | 1 | true | 0.058824 | 7 | 8 | 20 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | 287bd4abf194ef8a4293567437fd36833cf59c7748a8eefd9be13588433644a9 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | FSHJLZQAUQDGQC-UHFFFAOYSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 1.755875 | 0.454845 | 0.515662 | {
"nontransfer": 0.992002543060819,
"transfer": 0.007997456939180957
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.454845 | 0.88206 | 0.007997 | 0.515662 | 0.007997 | 0.992003 | numeric_record_level_only | 0 | true | 0.614458 | 10 | 8 | 2 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.75587485567",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.7558748556724915,
"aggregate_max": 1.7558748556724915,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | d1cf9c9878bee29222bc4698fbdc6131100883cf1c5ea3aec6cecb90cfd9427a | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | FSHJLZQAUQDGQC-UHFFFAOYSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 1.556303 | 0.255273 | 0.515662 | {
"nontransfer": 0.7211926036342142,
"transfer": 0.27880739636578583
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.255273 | 0.495039 | 0.278807 | 0.515662 | 0.278807 | 0.721193 | numeric_record_level_only | 0 | true | 0.538462 | 11 | 8 | 3 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.55630250077",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.5563025007672873,
"aggregate_max": 1.5563025007672873,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Me... | (B) | train | 10e569c216772a983b6a6b8ce8a351773b7136cc2ea3a10f0b5e343f1cd3183f | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | FSHJLZQAUQDGQC-UHFFFAOYSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 0.740363 | 0.560667 | 0.515662 | {
"nontransfer": 0.9989654661049403,
"transfer": 0.001034533895059715
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.560667 | 1.087277 | 0.001035 | 0.515662 | 0.001035 | 0.998965 | numeric_record_level_only | 0 | true | 0.056 | 12 | 8 | 4 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.740362689494",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.7403626894942439,
"aggregate_max": 0.7403626894942439,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1</SMILES>
Meas... | (B) | train | 9d00bbad3d8204312fe98f502c4f2485edb42595498ce2da085e5ba70af4933f | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | FSHJLZQAUQDGQC-UHFFFAOYSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 0.079181 | 1.221849 | 0.515662 | {
"nontransfer": 0.9999999972031274,
"transfer": 2.7968726004235207e-9
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.221849 | 2.369476 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.060345 | 13 | 8 | 5 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.0791812460476",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.07918124604762482,
"aggregate_max": 0.07918124604762482... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4C... | (B) | train | 5dd79d5b7e83cc7a0967f81594abd78909a376df12f5534e2683b6ae7222b647 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | FSHJLZQAUQDGQC-UHFFFAOYSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 1.681241 | 0.380211 | 0.515662 | {
"nontransfer": 0.9668584982155305,
"transfer": 0.03314150178446948
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.380211 | 0.737327 | 0.033142 | 0.515662 | 0.033142 | 0.966858 | numeric_record_level_only | 0 | true | 0.858974 | 14 | 8 | 6 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1</SMILES>
Measu... | (B) | train | 0bb3a3764a554c8a4ac53a660198fd87e8ec42952eba1422789ea4dac1f727de | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | FSHJLZQAUQDGQC-UHFFFAOYSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 0.623249 | 0.677781 | 0.515662 | {
"nontransfer": 0.9998931413510956,
"transfer": 0.00010685864890434113
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.677781 | 1.31439 | 0.000107 | 0.515662 | 0.000107 | 0.999893 | numeric_record_level_only | 0 | true | 0.06087 | 16 | 8 | 8 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.623249290398",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6232492903979004,
"aggregate_max": 0.6232492903979004,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Mea... | (B) | train | e17c906c97a936f63cb8c4baf5d278e06ee14cebb74575dd26b020e28a8c1cef | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | FSHJLZQAUQDGQC-UHFFFAOYSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 0.643453 | 0.657577 | 0.515662 | {
"nontransfer": 0.9998418963449611,
"transfer": 0.00015810365503892055
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.657577 | 1.27521 | 0.000158 | 0.515662 | 0.000158 | 0.999842 | numeric_record_level_only | 0 | true | 0.056911 | 18 | 8 | 10 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.643452676486",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6434526764861874,
"aggregate_max": 0.6434526764861874,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES>
M... | (B) | train | d51d7998f2888ffac71fef2874df713c89e97b3e03e6b1c1163453e4e04984fd | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | FSHJLZQAUQDGQC-UHFFFAOYSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 0.477121 | 0.823909 | 0.515662 | {
"nontransfer": 0.9999937172225835,
"transfer": 0.000006282777416528752
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.823909 | 1.597769 | 0.000006 | 0.515662 | 0.000006 | 0.999994 | numeric_record_level_only | 0 | true | 0.058824 | 19 | 8 | 11 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.47712125472",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.47712125471966244,
"aggregate_max": 0.47712125471966244,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Meas... | (B) | train | a1066f9644b8281812a45c7100c7ad25316d35eb448af2b32dc364c5ad0f71b9 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | FSHJLZQAUQDGQC-UHFFFAOYSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 0.491362 | 0.809668 | 0.515662 | {
"nontransfer": 0.9999917189598091,
"transfer": 0.000008281040190851226
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.809668 | 1.570153 | 0.000008 | 0.515662 | 0.000008 | 0.999992 | numeric_record_level_only | 0 | true | 0.058333 | 20 | 8 | 12 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.491361693834",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.4913616938342727,
"aggregate_max": 0.4913616938342727,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | fd73b48b27d55d336229aec933c60289ee3cd403d5e7044eddf59e69c7725163 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | FSHJLZQAUQDGQC-UHFFFAOYSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 1.568202 | 0.267172 | 0.515662 | {
"nontransfer": 0.7651529541436342,
"transfer": 0.23484704585636584
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.267172 | 0.518114 | 0.234847 | 0.515662 | 0.234847 | 0.765153 | numeric_record_level_only | 0 | true | 0.516854 | 0 | 8 | 13 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.56820172407",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.568201724066995,
"aggregate_max": 1.568201724066995,
"a... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12</SMILES>
Measured value: 0.707570... | (B) | train | 1d7d19785510bd8fff65dc9312f716399643ffb6c3b3e1795892ca9ed4b21313 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | FSHJLZQAUQDGQC-UHFFFAOYSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 0.70757 | 0.59346 | 0.515662 | {
"nontransfer": 0.9994520068949162,
"transfer": 0.0005479931050838046
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.59346 | 1.15087 | 0.000548 | 0.515662 | 0.000548 | 0.999452 | numeric_record_level_only | 0 | true | 0.042017 | 1 | 8 | 14 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc2nc3ccccc3cc2c1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.707570176098",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.7075701760979364,
"aggregate_max": 0.7075701760979364,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES... | (B) | train | 7ca2b2e581f0107beefedd6a51260513ace6bc7d3b0a3dd21289fd19175c7e99 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | FSHJLZQAUQDGQC-UHFFFAOYSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 0.322219 | 0.978811 | 0.515662 | {
"nontransfer": 0.9999996884283693,
"transfer": 3.1157163066318483e-7
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.978811 | 1.898164 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.058824 | 2 | 8 | 15 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.322219294734",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.3222192947339193,
"aggregate_max": 0.3222192947339193,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1</SMILES>
M... | (B) | train | 2000a7d819a6a0112ab322aacceb98aff9be2a3c48f910be8856e29de360f6db | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | FSHJLZQAUQDGQC-UHFFFAOYSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 0.539076 | 0.761954 | 0.515662 | {
"nontransfer": 0.9999791102208925,
"transfer": 0.000020889779107560384
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.761954 | 1.477623 | 0.000021 | 0.515662 | 0.000021 | 0.999979 | numeric_record_level_only | 0 | true | 0.090909 | 3 | 8 | 16 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc(Oc2ccc(-c3cc4n(n3)C(C3CCNCC3)CCN4)cc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.539076098793",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.5390760987927766,
"aggregate_max": 0.5390760987927766,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=S)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | 3d380fd78dff56afdb5d179a75a928bf12cc6fdf2cf9e816b9a048e72871d37f | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | FSHJLZQAUQDGQC-UHFFFAOYSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=S)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 0.60206 | 0.69897 | 0.515662 | {
"nontransfer": 0.9999291455076106,
"transfer": 0.00007085449238941509
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.69897 | 1.355481 | 0.000071 | 0.515662 | 0.000071 | 0.999929 | numeric_record_level_only | 0 | true | 0.635294 | 5 | 8 | 18 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.602059991328",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6020599913279624,
"aggregate_max": 0.6020599913279624,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1</SMILES>
Measured value: 0... | (B) | train | 3d28be1a1b24bd2c98fa6f29b1c10ba0b0dea8f9d3e86bfe176d8a56a2e54a98 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | FSHJLZQAUQDGQC-UHFFFAOYSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.30103 | 0.380211 | 0.920819 | 0.515662 | {
"nontransfer": 0.9999990406649417,
"transfer": 9.593350582740204e-7
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.920819 | 1.785702 | 0.000001 | 0.515662 | 0.000001 | 0.999999 | numeric_record_level_only | 0 | true | 0.088496 | 6 | 8 | 19 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | FSHJLZQAUQDGQC-UHFFFAOYSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.380211241712",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.38021124171160603,
"aggregate_max": 0.38021124171160603,... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4C... | (A) | train | 78001f9de80006e133ef4456e6ef4be5b9825e6ea1d8d73e4027cd1c9c93da07 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | JYNDAPHZRSRSGI-KAHNYGAISA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.278754 | 1.30103 | 0.022276 | 0.515662 | {
"nontransfer": 0.02743802746602486,
"transfer": 0.9725619725339751
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.022276 | 0.0432 | 0.972562 | 0.515662 | 0.972562 | 0.027438 | numeric_record_level_only | 1 | true | 0.058824 | 8 | 7 | 1 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br</SMILE... | (A) | train | 9e4f13fdb00eb48de64bf2270e5106a4434697a5465396addf5911acf9bcda51 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | JYNDAPHZRSRSGI-KAHNYGAISA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.278754 | 1.361728 | 0.082974 | 0.515662 | {
"nontransfer": 0.083867876676889,
"transfer": 0.916132123323111
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.082974 | 0.160908 | 0.916132 | 0.515662 | 0.916132 | 0.083868 | numeric_record_level_only | 1 | true | 0.516854 | 9 | 7 | 2 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1</SMILES>
M... | (A) | train | d21d6ef5b6192ec282284d403bb3dd8adeffd6eb181b40b7cc035fd6f508c6c0 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | JYNDAPHZRSRSGI-KAHNYGAISA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.278754 | 1.230449 | 0.048305 | 0.515662 | {
"nontransfer": 0.04464890850385406,
"transfer": 0.9553510914961459
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.048305 | 0.093675 | 0.955351 | 0.515662 | 0.955351 | 0.044649 | numeric_record_level_only | 1 | true | 0.684211 | 17 | 7 | 10 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1</SMILES>
Measured va... | (A) | train | 6f3cccc0d0cf34ab71494744bea5f9a32b7676bae7ec99aa6ac5699970d68eb4 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | JYNDAPHZRSRSGI-KAHNYGAISA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.278754 | 1.255273 | 0.023481 | 0.515662 | {
"nontransfer": 0.028068383297753297,
"transfer": 0.9719316167022467
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.023481 | 0.045536 | 0.971932 | 0.515662 | 0.971932 | 0.028068 | numeric_record_level_only | 1 | true | 0.237113 | 4 | 7 | 18 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | c1ccc(CCCCNCc2ccccc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.2552725051",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.255272505103306,
"aggregate_max": 1.255272505103306,
"ag... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | 6ecf7b9a2cd5dff2c9160f374926587da9cb7eef007beb216092366f1d2e3c77 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | JYNDAPHZRSRSGI-KAHNYGAISA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 1.755875 | 0.477121 | 0.515662 | {
"nontransfer": 0.9947933489970785,
"transfer": 0.005206651002921524
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.477121 | 0.92526 | 0.005207 | 0.515662 | 0.005207 | 0.994793 | numeric_record_level_only | 0 | true | 0.063492 | 10 | 7 | 3 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.75587485567",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.7558748556724915,
"aggregate_max": 1.7558748556724915,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | 50cbcff61201fcd866e8700d56e7c04abc9ed06286ba3494883f47a5c668e199 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | JYNDAPHZRSRSGI-KAHNYGAISA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 1.556303 | 0.277549 | 0.515662 | {
"nontransfer": 0.7993731502101976,
"transfer": 0.2006268497898024
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.277549 | 0.538238 | 0.200627 | 0.515662 | 0.200627 | 0.799373 | numeric_record_level_only | 0 | true | 0.076923 | 11 | 7 | 4 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.55630250077",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.5563025007672873,
"aggregate_max": 1.5563025007672873,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Me... | (B) | train | 554ca45e238e11ed03ba04351e8ecff052530fc922c893609851462da7991397 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | JYNDAPHZRSRSGI-KAHNYGAISA-N | COSNLASPZRJXQX-USZFVNFHSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 0.740363 | 0.538391 | 0.515662 | {
"nontransfer": 0.9984073675657832,
"transfer": 0.0015926324342168485
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.538391 | 1.044077 | 0.001593 | 0.515662 | 0.001593 | 0.998407 | numeric_record_level_only | 0 | true | 0.692308 | 12 | 7 | 5 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | COSNLASPZRJXQX-USZFVNFHSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.740362689494",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.7403626894942439,
"aggregate_max": 0.7403626894942439,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1</SMILES>
Meas... | (B) | train | 4d2c58c75fa05100cbff456c1815ab4a2b30df74d83aa5fa5a6a0ebc294bc4ea | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | JYNDAPHZRSRSGI-KAHNYGAISA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 0.079181 | 1.199572 | 0.515662 | {
"nontransfer": 0.9999999956918957,
"transfer": 4.308104341963393e-9
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.199572 | 2.326277 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.576923 | 13 | 7 | 6 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.0791812460476",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.07918124604762482,
"aggregate_max": 0.07918124604762482... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4C... | (B) | train | 430be7ddfd670eb461d681079d8468a55a218c5fa8d1f0f27e5e0c826850a35a | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | JYNDAPHZRSRSGI-KAHNYGAISA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 1.681241 | 0.402488 | 0.515662 | {
"nontransfer": 0.9782310648255148,
"transfer": 0.02176893517448524
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.402488 | 0.780526 | 0.021769 | 0.515662 | 0.021769 | 0.978231 | numeric_record_level_only | 0 | true | 0.066176 | 14 | 7 | 7 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1</SMILES>
... | (B) | train | d75ddca87d50e194daafe99779a9505e37fd04ae8fe8ad47c755651d2936f5f9 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | JYNDAPHZRSRSGI-KAHNYGAISA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 1.50515 | 0.226396 | 0.515662 | {
"nontransfer": 0.5963797705358758,
"transfer": 0.4036202294641243
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.226396 | 0.43904 | 0.40362 | 0.515662 | 0.40362 | 0.59638 | numeric_record_level_only | 0 | false | 0.666667 | 15 | 7 | 8 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.50514997832",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.505149978319906,
"aggregate_max": 1.505149978319906,
"a... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1</SMILES>
Measu... | (B) | train | 86aea6a1ff68a27650e9faf17e296020b5081e6b09f596f88b5172753c619fa3 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | JYNDAPHZRSRSGI-KAHNYGAISA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 0.623249 | 0.655504 | 0.515662 | {
"nontransfer": 0.9998354120130705,
"transfer": 0.00016458798692947882
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.655504 | 1.27119 | 0.000165 | 0.515662 | 0.000165 | 0.999835 | numeric_record_level_only | 0 | true | 0.605263 | 16 | 7 | 9 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.623249290398",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6232492903979004,
"aggregate_max": 0.6232492903979004,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Mea... | (B) | train | 753b387f09484dbbe8a212dc5b214948f3847386da1db9b0702de1c958fc18b3 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | JYNDAPHZRSRSGI-KAHNYGAISA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 0.643453 | 0.635301 | 0.515662 | {
"nontransfer": 0.9997564891367159,
"transfer": 0.0002435108632840662
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.635301 | 1.232011 | 0.000244 | 0.515662 | 0.000244 | 0.999756 | numeric_record_level_only | 0 | true | 0.710526 | 18 | 7 | 11 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.643452676486",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6434526764861874,
"aggregate_max": 0.6434526764861874,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES>
M... | (B) | train | 5952052b8e93107df17f1a3df6b93b192115b7a682160b963b6fbd2f747ee31a | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | JYNDAPHZRSRSGI-KAHNYGAISA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 0.477121 | 0.801632 | 0.515662 | {
"nontransfer": 0.9999903224877604,
"transfer": 0.000009677512239617492
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.801632 | 1.55457 | 0.00001 | 0.515662 | 0.00001 | 0.99999 | numeric_record_level_only | 0 | true | 0.636364 | 19 | 7 | 12 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.47712125472",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.47712125471966244,
"aggregate_max": 0.47712125471966244,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Meas... | (B) | train | a2fe02fbbdf06822f2f56ad42b757469b7e007dce7778ff2c940de02a17d2be5 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | JYNDAPHZRSRSGI-KAHNYGAISA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 0.491362 | 0.787392 | 0.515662 | {
"nontransfer": 0.9999872445296144,
"transfer": 0.00001275547038554905
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.787392 | 1.526954 | 0.000013 | 0.515662 | 0.000013 | 0.999987 | numeric_record_level_only | 0 | true | 0.716216 | 20 | 7 | 13 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.491361693834",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.4913616938342727,
"aggregate_max": 0.4913616938342727,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | 8f2d7b974c982417f26f30abf004457f9d7b0a9fdded678636bf82471e90a1ce | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | JYNDAPHZRSRSGI-KAHNYGAISA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 1.568202 | 0.289448 | 0.515662 | {
"nontransfer": 0.83384652273123,
"transfer": 0.16615347726876997
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.289448 | 0.561314 | 0.166153 | 0.515662 | 0.166153 | 0.833847 | numeric_record_level_only | 0 | true | 0.071429 | 0 | 7 | 14 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.56820172407",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.568201724066995,
"aggregate_max": 1.568201724066995,
"a... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12</SMILES>
Measured value: 0.707570... | (B) | train | eb39c8278769f420af97c7994e5e83eb949ede9ab5b192e3ec88cc015f0f96ed | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | JYNDAPHZRSRSGI-KAHNYGAISA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 0.70757 | 0.571183 | 0.515662 | {
"nontransfer": 0.9991561601135636,
"transfer": 0.0008438398864364215
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.571183 | 1.10767 | 0.000844 | 0.515662 | 0.000844 | 0.999156 | numeric_record_level_only | 0 | true | 0.097345 | 1 | 7 | 15 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | c1ccc2nc3ccccc3cc2c1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.707570176098",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.7075701760979364,
"aggregate_max": 0.7075701760979364,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES... | (B) | train | 18391ce97ae931f62cde02cf9f32637628e25a23a03653d6fbe931bc51f7926a | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | JYNDAPHZRSRSGI-KAHNYGAISA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 0.322219 | 0.956534 | 0.515662 | {
"nontransfer": 0.999999520077221,
"transfer": 4.799227790150162e-7
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.956534 | 1.854964 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.482353 | 2 | 7 | 16 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.322219294734",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.3222192947339193,
"aggregate_max": 0.3222192947339193,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1</SMILES>
M... | (B) | train | 980bc298518642229c91df233856abaa4344140c7ff607196308eef79a058ab6 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | JYNDAPHZRSRSGI-KAHNYGAISA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 0.539076 | 0.739678 | 0.515662 | {
"nontransfer": 0.9999678232278437,
"transfer": 0.000032176772156237616
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.739678 | 1.434423 | 0.000032 | 0.515662 | 0.000032 | 0.999968 | numeric_record_level_only | 0 | true | 0.081967 | 3 | 7 | 17 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | c1ccc(Oc2ccc(-c3cc4n(n3)C(C3CCNCC3)CCN4)cc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.539076098793",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.5390760987927766,
"aggregate_max": 0.5390760987927766,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=S)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | 10f97e434ed1f690eb553c1f46341651ac612de17a3e7fc5ac4366dbf76ce7cc | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | JYNDAPHZRSRSGI-KAHNYGAISA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=S)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 0.60206 | 0.676694 | 0.515662 | {
"nontransfer": 0.9998908649393577,
"transfer": 0.00010913506064226977
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.676694 | 1.312282 | 0.000109 | 0.515662 | 0.000109 | 0.999891 | numeric_record_level_only | 0 | true | 0.069231 | 5 | 7 | 19 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.602059991328",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6020599913279624,
"aggregate_max": 0.6020599913279624,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1</SMILES>
Measured value: 0... | (B) | train | 9c9e60926c5b745daab3a6cf5b4d2a89120647dbd880aa07f50c650c247b867b | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | JYNDAPHZRSRSGI-KAHNYGAISA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.278754 | 0.380211 | 0.898542 | 0.515662 | {
"nontransfer": 0.9999985223090272,
"transfer": 0.0000014776909728547182
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.898542 | 1.742503 | 0.000001 | 0.515662 | 0.000001 | 0.999999 | numeric_record_level_only | 0 | true | 0.088496 | 6 | 7 | 20 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | JYNDAPHZRSRSGI-KAHNYGAISA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.380211241712",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.38021124171160603,
"aggregate_max": 0.38021124171160603,... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1</SMILES>
... | (A) | train | d21673351301379b44644e20a8cf2c734fbaf2c7a5dfb7a3eccef262d465d73f | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.681241 | 1.50515 | 0.176091 | 0.515662 | {
"nontransfer": 0.3577504382785147,
"transfer": 0.6422495617214853
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.176091 | 0.341486 | 0.64225 | 0.515662 | 0.64225 | 0.35775 | numeric_record_level_only | 1 | true | 0.065041 | 15 | 14 | 1 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.50514997832",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.505149978319906,
"aggregate_max": 1.505149978319906,
"a... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (A) | train | 7d5f67d303a3b9f9212fbbd2654b2dd6cbfa750aa3966806da91829ba1f464b1 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.681241 | 1.568202 | 0.11304 | 0.515662 | {
"nontransfer": 0.14089508762434277,
"transfer": 0.8591049123756572
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.11304 | 0.219212 | 0.859105 | 0.515662 | 0.859105 | 0.140895 | numeric_record_level_only | 1 | true | 0.619048 | 0 | 14 | 7 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.56820172407",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.568201724066995,
"aggregate_max": 1.568201724066995,
"a... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (A) | train | dd2fcdab9648ec1704dd9f32d017dabc71dc09024101a60ef2a0dcb90623135f | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | NOWWWDMCHYVHPH-UHFFFAOYSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.681241 | 1.755875 | 0.074634 | 0.515662 | {
"nontransfer": 0.0722477349939118,
"transfer": 0.9277522650060882
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.074634 | 0.144734 | 0.927752 | 0.515662 | 0.927752 | 0.072248 | numeric_record_level_only | 1 | true | 0.516854 | 10 | 14 | 17 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.75587485567",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.7558748556724915,
"aggregate_max": 1.7558748556724915,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]... | (A) | train | c4dcee092b722772ddb43f4f48bddb8448f22a79d55d892394cb9ad10bcf1aed | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.681241 | 1.556303 | 0.124939 | 0.515662 | {
"nontransfer": 0.17120386040698377,
"transfer": 0.8287961395930162
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.124939 | 0.242288 | 0.828796 | 0.515662 | 0.828796 | 0.171204 | numeric_record_level_only | 1 | true | 0.639535 | 11 | 14 | 18 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.55630250077",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.5563025007672873,
"aggregate_max": 1.5563025007672873,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)c... | (B) | train | bd7538cdf5ab9fdb60ee7c71f1297405c242530ec2d7e555a187e98f20df735e | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 1.278754 | 0.402488 | 0.515662 | {
"nontransfer": 0.9782310648255148,
"transfer": 0.02176893517448524
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.402488 | 0.780526 | 0.021769 | 0.515662 | 0.021769 | 0.978231 | numeric_record_level_only | 0 | true | 0.066176 | 7 | 14 | 14 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4C... | (B) | train | 15e4f6f97c05f39ef2cb6a4e192e47af8979fea97538d53de481d5afe2c9cea7 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 1.30103 | 0.380211 | 0.515662 | {
"nontransfer": 0.9668584982155305,
"transfer": 0.03314150178446948
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.380211 | 0.737327 | 0.033142 | 0.515662 | 0.033142 | 0.966858 | numeric_record_level_only | 0 | true | 0.858974 | 8 | 14 | 15 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1</SMILES>
Measu... | (B) | train | 177f767205a0bd5e1ac02122bb2184972ce8449fb3fe4d2e2c2a8f8b9c6f9d9d | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | NOWWWDMCHYVHPH-UHFFFAOYSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 0.623249 | 1.057992 | 0.515662 | {
"nontransfer": 0.9999999329054262,
"transfer": 6.70945737354141e-8
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.057992 | 2.051716 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.069565 | 16 | 14 | 2 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.623249290398",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6232492903979004,
"aggregate_max": 0.6232492903979004,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1</SMILES>
M... | (B) | train | 6da4077b4845cd17f26a34cdb7a94c8f353fbab1437840bc64869affd2a9fb30 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | NOWWWDMCHYVHPH-UHFFFAOYSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 1.230449 | 0.450792 | 0.515662 | {
"nontransfer": 0.9913543256789578,
"transfer": 0.00864567432104221
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.450792 | 0.874201 | 0.008646 | 0.515662 | 0.008646 | 0.991354 | numeric_record_level_only | 0 | true | 0.066116 | 17 | 14 | 3 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Mea... | (B) | train | 70b512e73ac68bfe8a7e4e2d1d6e650f28a952650b786d6e1d01532bf262d1c8 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 0.643453 | 1.037789 | 0.515662 | {
"nontransfer": 0.9999999007245478,
"transfer": 9.927545215996801e-8
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.037789 | 2.012537 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.065041 | 18 | 14 | 4 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.643452676486",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6434526764861874,
"aggregate_max": 0.6434526764861874,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES>
M... | (B) | train | 99db2f86ee7cc15aa375e4e8efc7d9841dee684927b75ded7de058c2dbdecdec | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | NOWWWDMCHYVHPH-UHFFFAOYSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 0.477121 | 1.20412 | 0.515662 | {
"nontransfer": 0.9999999960555566,
"transfer": 3.944443491745762e-9
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.20412 | 2.335096 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.067227 | 19 | 14 | 5 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.47712125472",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.47712125471966244,
"aggregate_max": 0.47712125471966244,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Meas... | (B) | train | 4e703a1c2a1cf09610bf0ba9c54638da3073da4a88a506b937b04699ff480543 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 0.491362 | 1.18988 | 0.515662 | {
"nontransfer": 0.9999999948009999,
"transfer": 5.199000084065037e-9
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.18988 | 2.30748 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.066667 | 20 | 14 | 6 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.491361693834",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.4913616938342727,
"aggregate_max": 0.4913616938342727,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12</SMILES>
Measured value: 0.707570... | (B) | train | b128eec446b5e2678be46bca34d97fc07db3ae6b2cc6947b2c5192afb3b4c463 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 0.70757 | 0.973671 | 0.515662 | {
"nontransfer": 0.9999996557734706,
"transfer": 3.442265293711675e-7
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.973671 | 1.888197 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.041667 | 1 | 14 | 8 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc2nc3ccccc3cc2c1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.707570176098",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.7075701760979364,
"aggregate_max": 0.7075701760979364,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES... | (B) | train | 11d96e1feefa97017fa71015262fa26db5f6a45b9cdd19642a4730f2ed69e1e5 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 0.322219 | 1.359022 | 0.515662 | {
"nontransfer": 0.9999999998043908,
"transfer": 1.9560924658591695e-10
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.359022 | 2.63549 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.067227 | 2 | 14 | 9 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.322219294734",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.3222192947339193,
"aggregate_max": 0.3222192947339193,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1</SMILES>
M... | (B) | train | b5235d6bb77fceee443c99f7709364e6069268c99d199a4450fa9c3dec19bc51 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 0.539076 | 1.142165 | 0.515662 | {
"nontransfer": 0.9999999868848201,
"transfer": 1.3115179903290695e-8
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.142165 | 2.21495 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.108333 | 3 | 14 | 10 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc(Oc2ccc(-c3cc4n(n3)C(C3CCNCC3)CCN4)cc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.539076098793",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.5390760987927766,
"aggregate_max": 0.5390760987927766,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1</SMILES>
Measured va... | (B) | train | 0da02e5d6dcce014b94e4e8d7f5d17c53b2c3043bd6d04f2e23ecd7b06abbb3b | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | NOWWWDMCHYVHPH-UHFFFAOYSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 1.255273 | 0.425969 | 0.515662 | {
"nontransfer": 0.9860828747414818,
"transfer": 0.013917125258518168
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.425969 | 0.826062 | 0.013917 | 0.515662 | 0.013917 | 0.986083 | numeric_record_level_only | 0 | true | 0.09009 | 4 | 14 | 11 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc(CCCCNCc2ccccc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.2552725051",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.255272505103306,
"aggregate_max": 1.255272505103306,
"ag... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=S)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | dcb3e679cc02ad12bd6642b1a11b5eef95e9181cef57c601b188b473219f3f7d | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | NOWWWDMCHYVHPH-UHFFFAOYSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=S)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 0.60206 | 1.079181 | 0.515662 | {
"nontransfer": 0.9999999555133726,
"transfer": 4.448662739201122e-8
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.079181 | 2.092808 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.538462 | 5 | 14 | 12 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.602059991328",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6020599913279624,
"aggregate_max": 0.6020599913279624,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1</SMILES>
Measured value: 0... | (B) | train | 3fdacfc8154bd12e593ef39147c4f31e25d92576cae37f190ee2ec2a0b70a065 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 0.380211 | 1.30103 | 0.515662 | {
"nontransfer": 0.999999999397715,
"transfer": 6.022850317043792e-10
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.30103 | 2.523029 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.087719 | 6 | 14 | 13 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.380211241712",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.38021124171160603,
"aggregate_max": 0.38021124171160603,... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br</SMILE... | (B) | train | 0862260a50ff83cdd9814560e3bea43d21970aa9dddc9722931902577331f3e8 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | NOWWWDMCHYVHPH-UHFFFAOYSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 1.361728 | 0.319513 | 0.515662 | {
"nontransfer": 0.8999059373174378,
"transfer": 0.1000940626825622
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.319513 | 0.619618 | 0.100094 | 0.515662 | 0.100094 | 0.899906 | numeric_record_level_only | 0 | true | 0.070866 | 9 | 14 | 16 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Me... | (B) | train | c1a1e3dbdac24e17d85d4b13913b9cd139e4fa4debe62e5cfed14e83bccdb551 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | NOWWWDMCHYVHPH-UHFFFAOYSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 0.740363 | 0.940879 | 0.515662 | {
"nontransfer": 0.999999349832428,
"transfer": 6.501675720567447e-7
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.940879 | 1.824604 | 0.000001 | 0.515662 | 0.000001 | 0.999999 | numeric_record_level_only | 0 | true | 0.064 | 12 | 14 | 19 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.740362689494",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.7403626894942439,
"aggregate_max": 0.7403626894942439,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1</SMILES>
Meas... | (B) | train | 320f83fdffa2cc1c64e5d76bb75a31695f3dbf12c6e5782bb15d314356454b72 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | NOWWWDMCHYVHPH-UHFFFAOYSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.681241 | 0.079181 | 1.60206 | 0.515662 | {
"nontransfer": 0.9999999999982441,
"transfer": 1.7559171615796204e-12
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.60206 | 3.106803 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.068966 | 13 | 14 | 20 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | NOWWWDMCHYVHPH-UHFFFAOYSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.0791812460476",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.07918124604762482,
"aggregate_max": 0.07918124604762482... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)c... | (A) | train | f08977ed437e482e624d1220e656dfde95a83ebadfef1eed8541daa18aac36f6 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.230449 | 1.278754 | 0.048305 | 0.515662 | {
"nontransfer": 0.04464890850385406,
"transfer": 0.9553510914961459
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.048305 | 0.093675 | 0.955351 | 0.515662 | 0.955351 | 0.044649 | numeric_record_level_only | 1 | true | 0.684211 | 7 | 17 | 11 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4C... | (A) | train | a3e932d3c2db20a8a0c437655e429cd11142003142c9084ed47356b87c02e240 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.230449 | 1.30103 | 0.070581 | 0.515662 | {
"nontransfer": 0.06715391911787472,
"transfer": 0.9328460808821253
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.070581 | 0.136875 | 0.932846 | 0.515662 | 0.932846 | 0.067154 | numeric_record_level_only | 1 | true | 0.057851 | 8 | 17 | 12 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1</SMILES>
Measured va... | (A) | train | ad56e2613546c5f4b4b5bed1b29ec9e1b3bec93d8a28908a41d61ecfa41c6763 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | GDDUFVNKGWWPLA-GIWBLDEGSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.230449 | 1.255273 | 0.024824 | 0.515662 | {
"nontransfer": 0.028787405908771047,
"transfer": 0.971212594091229
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.024824 | 0.048139 | 0.971213 | 0.515662 | 0.971213 | 0.028787 | numeric_record_level_only | 1 | true | 0.3 | 4 | 17 | 8 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc(CCCCNCc2ccccc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.2552725051",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.255272505103306,
"aggregate_max": 1.255272505103306,
"ag... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br</SMILE... | (A) | train | a4667d39cab5e958945def347bc089a082754d56739d90c758b14a15dc546dd1 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | GDDUFVNKGWWPLA-GIWBLDEGSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.230449 | 1.361728 | 0.131279 | 0.515662 | {
"nontransfer": 0.1893610925573389,
"transfer": 0.8106389074426611
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.131279 | 0.254583 | 0.810639 | 0.515662 | 0.810639 | 0.189361 | numeric_record_level_only | 1 | true | 0.630137 | 9 | 17 | 13 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4C... | (B) | train | 8cab5e2486e5f1526115872d44c32ba32a77a0a0c366843f7592ed85b79ae260 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | GDDUFVNKGWWPLA-GIWBLDEGSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 1.681241 | 0.450792 | 0.515662 | {
"nontransfer": 0.9913543256789578,
"transfer": 0.00864567432104221
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.450792 | 0.874201 | 0.008646 | 0.515662 | 0.008646 | 0.991354 | numeric_record_level_only | 0 | true | 0.066116 | 14 | 17 | 18 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Mea... | (B) | train | 228f079a7d8bfa49273214738cf41e6672df2f36b9e1be1b44f96e3db7fb1cde | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 0.643453 | 0.586996 | 0.515662 | {
"nontransfer": 0.9993788735222371,
"transfer": 0.0006211264777629398
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.586996 | 1.138335 | 0.000621 | 0.515662 | 0.000621 | 0.999379 | numeric_record_level_only | 0 | true | 0.83871 | 18 | 17 | 1 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.643452676486",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6434526764861874,
"aggregate_max": 0.6434526764861874,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES>
M... | (B) | train | d603c31b4aa719cec92182b6c34a1ee99cb3cd6b25fe6656f9aec3ccd73925c7 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | GDDUFVNKGWWPLA-GIWBLDEGSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 0.477121 | 0.753328 | 0.515662 | {
"nontransfer": 0.9999753064813743,
"transfer": 0.000024693518625686696
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.753328 | 1.460895 | 0.000025 | 0.515662 | 0.000025 | 0.999975 | numeric_record_level_only | 0 | true | 0.803279 | 19 | 17 | 2 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.47712125472",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.47712125471966244,
"aggregate_max": 0.47712125471966244,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Meas... | (B) | train | b631a6bc1686394b492dad921d5139a67218019963b867cc32c747b48ccfbea0 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 0.491362 | 0.739087 | 0.515662 | {
"nontransfer": 0.9999674527984627,
"transfer": 0.00003254720153735293
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.739087 | 1.433279 | 0.000033 | 0.515662 | 0.000033 | 0.999967 | numeric_record_level_only | 0 | true | 0.881356 | 20 | 17 | 3 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.491361693834",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.4913616938342727,
"aggregate_max": 0.4913616938342727,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | 210f34cc90b8f48a2fad5d49ef2e52c58c4189905413881a68d3a9fd8fb87ba5 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 1.568202 | 0.337753 | 0.515662 | {
"nontransfer": 0.9275660162401547,
"transfer": 0.07243398375984537
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.337753 | 0.654989 | 0.072434 | 0.515662 | 0.072434 | 0.927566 | numeric_record_level_only | 0 | true | 0.072072 | 0 | 17 | 4 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.56820172407",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.568201724066995,
"aggregate_max": 1.568201724066995,
"a... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12</SMILES>
Measured value: 0.707570... | (B) | train | b6267cb055f9243932afc16bb9c52abbf0970afa1e31b0b596a7a8fbbf882c8e | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 0.70757 | 0.522879 | 0.515662 | {
"nontransfer": 0.9978496084707046,
"transfer": 0.0021503915292954115
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.522879 | 1.013995 | 0.00215 | 0.515662 | 0.00215 | 0.99785 | numeric_record_level_only | 0 | true | 0.102041 | 1 | 17 | 5 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2nc3ccccc3cc2c1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.707570176098",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.7075701760979364,
"aggregate_max": 0.7075701760979364,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES... | (B) | train | b4b0a153b3667c3c1a5d0364aa74adddf0446e36e0be178761114c085470c8c8 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 0.322219 | 0.90823 | 0.515662 | {
"nontransfer": 0.9999987753927949,
"transfer": 0.0000012246072050853433
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.90823 | 1.761289 | 0.000001 | 0.515662 | 0.000001 | 0.999999 | numeric_record_level_only | 0 | true | 0.594203 | 2 | 17 | 6 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.322219294734",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.3222192947339193,
"aggregate_max": 0.3222192947339193,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1</SMILES>
M... | (B) | train | d7ba0fc7ab992d0299a8beadb0623db03aed7a3a0578eae63baf2c9467b9e155 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 0.539076 | 0.691373 | 0.515662 | {
"nontransfer": 0.9999178993562612,
"transfer": 0.00008210064373885029
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.691373 | 1.340748 | 0.000082 | 0.515662 | 0.000082 | 0.999918 | numeric_record_level_only | 0 | true | 0.084112 | 3 | 17 | 7 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc(Oc2ccc(-c3cc4n(n3)C(C3CCNCC3)CCN4)cc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.539076098793",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.5390760987927766,
"aggregate_max": 0.5390760987927766,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=S)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | 2e2e2fa471baacef4ab6b15e1fa7ddadf0f1423894c5dfbf8a02f7a5bf95e782 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | GDDUFVNKGWWPLA-GIWBLDEGSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=S)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 0.60206 | 0.628389 | 0.515662 | {
"nontransfer": 0.9997215696804364,
"transfer": 0.0002784303195636267
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.628389 | 1.218606 | 0.000278 | 0.515662 | 0.000278 | 0.999722 | numeric_record_level_only | 0 | true | 0.069565 | 5 | 17 | 9 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.602059991328",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6020599913279624,
"aggregate_max": 0.6020599913279624,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1</SMILES>
Measured value: 0... | (B) | train | a071c1e507283873070688e1bf88373a27b8dc979e31b48025d335acbf165202 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 0.380211 | 0.850238 | 0.515662 | {
"nontransfer": 0.9999962294179611,
"transfer": 0.000003770582038912654
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.850238 | 1.648828 | 0.000004 | 0.515662 | 0.000004 | 0.999996 | numeric_record_level_only | 0 | true | 0.080808 | 6 | 17 | 10 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.380211241712",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.38021124171160603,
"aggregate_max": 0.38021124171160603,... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | d7bcddd0c67552fb68e1d62b45a0df0a9ed449180a9e62dab99ca7089b5cb4d3 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | GDDUFVNKGWWPLA-GIWBLDEGSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 1.755875 | 0.525426 | 0.515662 | {
"nontransfer": 0.9979530372970639,
"transfer": 0.002046962702936125
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.525426 | 1.018935 | 0.002047 | 0.515662 | 0.002047 | 0.997953 | numeric_record_level_only | 0 | true | 0.063063 | 10 | 17 | 14 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.75587485567",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.7558748556724915,
"aggregate_max": 1.7558748556724915,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | c86fd28015253f6f773ab982f13f35042bd538f8af0317b2b092af8d316b31c8 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 1.556303 | 0.325854 | 0.515662 | {
"nontransfer": 0.9104492045386259,
"transfer": 0.08955079546137412
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.325854 | 0.631913 | 0.089551 | 0.515662 | 0.089551 | 0.910449 | numeric_record_level_only | 0 | true | 0.078261 | 11 | 17 | 15 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.55630250077",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.5563025007672873,
"aggregate_max": 1.5563025007672873,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Me... | (B) | train | 9ec60f2c1a907d71eed369447d1d82b89f734e1bc0d44786caa77d6e185c0e16 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 0.740363 | 0.490086 | 0.515662 | {
"nontransfer": 0.9959461339081077,
"transfer": 0.004053866091892244
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.490086 | 0.950402 | 0.004054 | 0.515662 | 0.004054 | 0.995946 | numeric_record_level_only | 0 | true | 0.8125 | 12 | 17 | 16 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.740362689494",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.7403626894942439,
"aggregate_max": 0.7403626894942439,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1</SMILES>
Meas... | (B) | train | 27ede094a9b68290b62c7a48902d5c05990eac468446bf10736e6cfddb2bbc78 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | GDDUFVNKGWWPLA-GIWBLDEGSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 0.079181 | 1.151268 | 0.515662 | {
"nontransfer": 0.9999999890071075,
"transfer": 1.0992892485227282e-8
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.151268 | 2.232602 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.725806 | 13 | 17 | 17 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.0791812460476",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.07918124604762482,
"aggregate_max": 0.07918124604762482... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1</SMILES>
... | (B) | train | 6653eab0241a97d776f5ea4159586e1dddfc463f5f1b6a4761b1df43cc89358f | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | GDDUFVNKGWWPLA-GIWBLDEGSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 1.50515 | 0.274701 | 0.515662 | {
"nontransfer": 0.7903695175905046,
"transfer": 0.2096304824094955
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.274701 | 0.532715 | 0.20963 | 0.515662 | 0.20963 | 0.79037 | numeric_record_level_only | 0 | true | 0.868852 | 15 | 17 | 19 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.50514997832",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.505149978319906,
"aggregate_max": 1.505149978319906,
"a... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1</SMILES>
Measu... | (B) | train | 4f8cf69fc114ef13a3ca2734119e594c7f60c059bca73b2cf95b8216c31bf1b0 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | GDDUFVNKGWWPLA-GIWBLDEGSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.230449 | 0.623249 | 0.6072 | 0.515662 | {
"nontransfer": 0.9995801317797507,
"transfer": 0.0004198682202492798
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.6072 | 1.177515 | 0.00042 | 0.515662 | 0.00042 | 0.99958 | numeric_record_level_only | 0 | true | 0.766667 | 16 | 17 | 20 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | GDDUFVNKGWWPLA-GIWBLDEGSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.623249290398",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6232492903979004,
"aggregate_max": 0.6232492903979004,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1</SMILES>
M... | (A) | train | 0c42e553d199616466e872939c33ec8357a30c128b2ebb67a6e8b317f07c90d0 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | WLKPKWJBEUBAOG-NWSQWKLXSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.361728 | 1.230449 | 0.131279 | 0.515662 | {
"nontransfer": 0.1893610925573389,
"transfer": 0.8106389074426611
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.131279 | 0.254583 | 0.810639 | 0.515662 | 0.810639 | 0.189361 | numeric_record_level_only | 1 | true | 0.630137 | 17 | 9 | 8 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.23044892138",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2304489213782739,
"aggregate_max": 1.2304489213782739,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)c... | (A) | train | 6231532b7cc9871218fc7e3733db838792a66ca3d1b2b62cc3d26d2512695fc8 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.361728 | 1.278754 | 0.082974 | 0.515662 | {
"nontransfer": 0.083867876676889,
"transfer": 0.916132123323111
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.082974 | 0.160908 | 0.916132 | 0.515662 | 0.916132 | 0.083868 | numeric_record_level_only | 1 | true | 0.516854 | 7 | 9 | 19 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.27875360095",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2787536009528289,
"aggregate_max": 1.2787536009528289,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4C... | (A) | train | 90d25b67a77ee1179e31c5c5023e51bb1f8bebac9f5b87e28f2ec60da300655b | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=S)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.361728 | 1.30103 | 0.060698 | 0.515662 | {
"nontransfer": 0.056098430999864224,
"transfer": 0.9439015690001358
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.060698 | 0.117709 | 0.943902 | 0.515662 | 0.943902 | 0.056098 | numeric_record_level_only | 1 | true | 0.062992 | 8 | 9 | 20 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.30102999566",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3010299956639813,
"aggregate_max": 1.3010299956639813,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]... | (A) | train | 5f8aa67cec37b64c95abf0b5ca820375b7ce9c0f60e8dd919d6fa7c0553ab817 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.361728 | 1.556303 | 0.194575 | 0.515662 | {
"nontransfer": 0.4435662548525757,
"transfer": 0.5564337451474243
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.194575 | 0.37733 | 0.556434 | 0.515662 | 0.556434 | 0.443566 | numeric_record_level_only | 1 | false | 0.07377 | 11 | 9 | 2 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.55630250077",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.5563025007672873,
"aggregate_max": 1.5563025007672873,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1</SMILES>
... | (A) | train | 73f938a1d7ccf27013eacc1ac928079bd38f7e6975f907cee10153f7522dc3eb | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.361728 | 1.50515 | 0.143422 | 0.515662 | {
"nontransfer": 0.22816903782920928,
"transfer": 0.7718309621707907
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.143422 | 0.278132 | 0.771831 | 0.515662 | 0.771831 | 0.228169 | numeric_record_level_only | 1 | true | 0.613333 | 15 | 9 | 6 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.50514997832",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.505149978319906,
"aggregate_max": 1.505149978319906,
"a... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1</SMILES>
Measured va... | (A) | train | 1357c433ca215a699befa81c9778b40d097e0dae50ef23644db335a968a8a04c | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | WLKPKWJBEUBAOG-NWSQWKLXSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | near | 1.361728 | 1.255273 | 0.106455 | 0.515662 | {
"nontransfer": 0.12613649401865334,
"transfer": 0.8738635059813467
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.106455 | 0.206444 | 0.873864 | 0.515662 | 0.873864 | 0.126136 | numeric_record_level_only | 1 | true | 0.275862 | 4 | 9 | 16 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc(CCCCNCc2ccccc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.2552725051",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.255272505103306,
"aggregate_max": 1.255272505103306,
"ag... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4C... | (B) | train | ede88480767187be7b59637c9b34d4827b9a6365c34d47ef5fe10990c04be1f6 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | WLKPKWJBEUBAOG-NWSQWKLXSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4CCC2 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 1.681241 | 0.319513 | 0.515662 | {
"nontransfer": 0.8999059373174378,
"transfer": 0.1000940626825622
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.319513 | 0.619618 | 0.100094 | 0.515662 | 0.100094 | 0.899906 | numeric_record_level_only | 0 | true | 0.070866 | 14 | 9 | 5 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.68124123738",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.6812412373755872,
"aggregate_max": 1.6812412373755872,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | a17914af61d3bcaac820171782b75b1e3600be72086dd2be16c3204a9d7e4741 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | WLKPKWJBEUBAOG-NWSQWKLXSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 1.755875 | 0.394147 | 0.515662 | {
"nontransfer": 0.974506709613605,
"transfer": 0.025493290386395053
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.394147 | 0.764352 | 0.025493 | 0.515662 | 0.025493 | 0.974507 | numeric_record_level_only | 0 | true | 0.068376 | 10 | 9 | 1 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.75587485567",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.7558748556724915,
"aggregate_max": 1.7558748556724915,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Me... | (B) | train | 6d2994fa1d29c76a5b10330c6061e4f926f5f721d8a3bfe98dc730b9ef0e6868 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 0.740363 | 0.621365 | 0.515662 | {
"nontransfer": 0.9996809536851505,
"transfer": 0.00031904631484950657
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.621365 | 1.204986 | 0.000319 | 0.515662 | 0.000319 | 0.999681 | numeric_record_level_only | 0 | true | 0.597403 | 12 | 9 | 3 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.740362689494",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.7403626894942439,
"aggregate_max": 0.7403626894942439,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1</SMILES>
Meas... | (B) | train | 68d360f6a74ed35b72c1fd2526e52b5a6c04df779b8f8f169c962f0e4f2a0c13 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | WLKPKWJBEUBAOG-NWSQWKLXSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 0.079181 | 1.282547 | 0.515662 | {
"nontransfer": 0.9999999991380725,
"transfer": 8.61927527074878e-10
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.282547 | 2.487185 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.701493 | 13 | 9 | 4 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.0791812460476",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.07918124604762482,
"aggregate_max": 0.07918124604762482... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1</SMILES>
Measu... | (B) | train | 29aa64cbdcdee7ee9c54340a9bcff1a4351de2bc0a879833ac157ba6283b6d9d | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | WLKPKWJBEUBAOG-NWSQWKLXSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 0.623249 | 0.738479 | 0.515662 | {
"nontransfer": 0.9999670663510556,
"transfer": 0.00003293364894444654
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.738479 | 1.432098 | 0.000033 | 0.515662 | 0.000033 | 0.999967 | numeric_record_level_only | 0 | true | 0.661765 | 16 | 9 | 7 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.623249290398",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6232492903979004,
"aggregate_max": 0.6232492903979004,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Mea... | (B) | train | e0a11d4b4bda03c695b05e6f250d3524f30cea1679aa0936963257a5df199325 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 0.643453 | 0.718275 | 0.515662 | {
"nontransfer": 0.9999512710019784,
"transfer": 0.0000487289980215701
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.718275 | 1.392919 | 0.000049 | 0.515662 | 0.000049 | 0.999951 | numeric_record_level_only | 0 | true | 0.613333 | 18 | 9 | 9 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.643452676486",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6434526764861874,
"aggregate_max": 0.6434526764861874,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES>
M... | (B) | train | 532b78402c8bdb45c0e67cf837d3468db28f0004820d409432975689f7d3cd4b | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | WLKPKWJBEUBAOG-NWSQWKLXSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 0.477121 | 0.884607 | 0.515662 | {
"nontransfer": 0.999998063793707,
"transfer": 0.0000019362062929221107
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.884607 | 1.715478 | 0.000002 | 0.515662 | 0.000002 | 0.999998 | numeric_record_level_only | 0 | true | 0.746269 | 19 | 9 | 10 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.47712125472",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.47712125471966244,
"aggregate_max": 0.47712125471966244,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Meas... | (B) | train | 74394649d353399d272b95f81f0937846d8c10689096f5e84de9ca54110fe052 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 0.491362 | 0.870366 | 0.515662 | {
"nontransfer": 0.9999974479719346,
"transfer": 0.000002552028065373964
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.870366 | 1.687862 | 0.000003 | 0.515662 | 0.000003 | 0.999997 | numeric_record_level_only | 0 | true | 0.638889 | 20 | 9 | 11 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.491361693834",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.4913616938342727,
"aggregate_max": 0.4913616938342727,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | 628bd812db2d58db0a5bf50f2cf531c10edc57d97d24e95b231be521f3236d3e | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 1.568202 | 0.206474 | 0.515662 | {
"nontransfer": 0.5010138402902076,
"transfer": 0.4989861597097925
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.206474 | 0.400406 | 0.498986 | 0.515662 | 0.498986 | 0.501014 | numeric_record_level_only | 0 | false | 0.076923 | 0 | 9 | 12 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.56820172407",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.568201724066995,
"aggregate_max": 1.568201724066995,
"a... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12</SMILES>
Measured value: 0.707570... | (B) | train | d3d23c8dc6dc1a2f9ed174f243317f710569bf8b4c781ec11cf93c0cf846b9aa | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 0.70757 | 0.654158 | 0.515662 | {
"nontransfer": 0.9998310579193352,
"transfer": 0.00016894208066470625
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.654158 | 1.268579 | 0.000169 | 0.515662 | 0.000169 | 0.999831 | numeric_record_level_only | 0 | true | 0.105769 | 1 | 9 | 13 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2nc3ccccc3cc2c1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.707570176098",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.7075701760979364,
"aggregate_max": 0.7075701760979364,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES... | (B) | train | 0218f500ebbc1468cab34e79333eb156be7189ed5ab67240940f28ed97a2c9da | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 0.322219 | 1.039509 | 0.515662 | {
"nontransfer": 0.9999999039812459,
"transfer": 9.601875410811243e-8
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 1.039509 | 2.015872 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.56 | 2 | 9 | 14 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.322219294734",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.3222192947339193,
"aggregate_max": 0.3222192947339193,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1</SMILES>
M... | (B) | train | 956a2b61c8b5e6ea89fd99ab297e6b8a089d5155789eb8a6dd50f9431c894e99 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 0.539076 | 0.822652 | 0.515662 | {
"nontransfer": 0.9999935621894863,
"transfer": 0.000006437810513699431
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.822652 | 1.595332 | 0.000006 | 0.515662 | 0.000006 | 0.999994 | numeric_record_level_only | 0 | true | 0.098214 | 3 | 9 | 15 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc(Oc2ccc(-c3cc4n(n3)C(C3CCNCC3)CCN4)cc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.539076098793",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.5390760987927766,
"aggregate_max": 0.5390760987927766,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=S)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | 5c8ae0b9fcb6e4797eacba42a858c1fdb6375d705eb6574fa1bf79508ddaf17d | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | WLKPKWJBEUBAOG-NWSQWKLXSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=S)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 0.60206 | 0.759668 | 0.515662 | {
"nontransfer": 0.9999781633131664,
"transfer": 0.000021836686833679296
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.759668 | 1.47319 | 0.000022 | 0.515662 | 0.000022 | 0.999978 | numeric_record_level_only | 0 | true | 0.065574 | 5 | 9 | 17 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.602059991328",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6020599913279624,
"aggregate_max": 0.6020599913279624,
... | |
You are comparing two molecules measured in a similar assay.
Property: efflux ratio
Assay details:
- Assay system: mdck-mdr1 bidirectional transport
- Evidence Type: bidirectional transport
- Transporter Identifier: ABCB1
Molecule A
<SMILES>COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1</SMILES>
Measured value: 0... | (B) | train | 0d854d0d0219a9c642f3d88caea9f8605679db97de2344d8a8bfb1ee273d2105 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | WLKPKWJBEUBAOG-NWSQWKLXSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br | COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1 | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | indirect_exact_pair_bucket | indirect_exact_pair_bucket | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | [
"Assay system=mdck-mdr1 bidirectional transport",
"Evidence Type=bidirectional transport",
"Transporter Identifier=ABCB1"
] | same_exact_pair_bucket | 1 | 1 | null | null | null | null | far | 1.361728 | 0.380211 | 0.981517 | 0.515662 | {
"nontransfer": 0.9999997043562723,
"transfer": 2.9564372774112364e-7
} | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | efflux_ratio | continuous | {
"calibration_sha256": "96a668bfe533272030de8bbfc8686bf80e6a5f5ec707d123a01c4df172eab7cf",
"groups": {
"assay_concept": "efflux_ratio",
"measurement_kind": "continuous",
"query_condition_group": "[\"efflux_transport\",\"efflux_ratio\",\"log10(ratio)\",\"__unknown__\",\"ABCB1\",\"bidirectional_transport... | 0.981517 | 1.903411 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.085714 | 6 | 9 | 18 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | WLKPKWJBEUBAOG-NWSQWKLXSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.36172783602",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.3617278360175928,
"aggregate_max": 1.3617278360175928,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.380211241712",
"display_unit_text": "log10(ratio)",
"display_transform_id": "log10.v1",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.38021124171160603,
"aggregate_max": 0.38021124171160603,... |
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