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>C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccc(C(=O)N2CCCCC2)s1)c1cc2c4c(c1[Se]3)CCCN4C... | (A) | train | 2c61be8f84c1356200f97f989807ab9bf3db8e81414f13adad6903f32880b110 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | OSFVZIVSEXOTSX-UHFFFAOYSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | near | 1.556303 | 1.681241 | 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 | 14 | 11 | 3 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | {
"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,
... | {
"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>
... | (A) | train | 2a749641925280b1963ce2da887970db6f4d255e5d3c198b19a1913cb6f35b0a | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | OSFVZIVSEXOTSX-UHFFFAOYSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 1.50515 | 0.051153 | 0.515662 | {
"nontransfer": 0.04706477403444298,
"transfer": 0.952935225965557
} | ["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... | 0.051153 | 0.099198 | 0.952935 | 0.515662 | 0.952935 | 0.047065 | numeric_record_level_only | 1 | true | 0.067797 | 15 | 11 | 4 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"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,
... | {
"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 | bdcd7cdddb36a22d8c39492dc3f27ba92ee45e762463b452ce8044759d59558d | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | OSFVZIVSEXOTSX-UHFFFAOYSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 1.568202 | 0.011899 | 0.515662 | {
"nontransfer": 0.022549302755293543,
"transfer": 0.9774506972447065
} | ["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... | 0.011899 | 0.023076 | 0.977451 | 0.515662 | 0.977451 | 0.022549 | numeric_record_level_only | 1 | true | 0.364583 | 0 | 11 | 10 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.55630250077",
"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,
... | {
"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>CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)cc1Br</SMILE... | (A) | train | 50c268f076509b2690275bf3c34b267d44e1feb61df6ea6f2322b8651e0a2b91 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | OSFVZIVSEXOTSX-UHFFFAOYSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 1.361728 | 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 | 9 | 11 | 19 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"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,
... | {
"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>S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (A) | train | 37dc46edf527faed40f94ebb8df312f85e15e4b9464697bd0bc5e8953a44175c | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | OSFVZIVSEXOTSX-UHFFFAOYSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 1.755875 | 0.199572 | 0.515662 | {
"nontransfer": 0.4675997240178583,
"transfer": 0.5324002759821417
} | ["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... | 0.199572 | 0.387022 | 0.5324 | 0.515662 | 0.5324 | 0.4676 | numeric_record_level_only | 1 | false | 0.287129 | 10 | 11 | 20 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.55630250077",
"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,
... | {
"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>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1</SMILES>
Meas... | (B) | train | cb253d2732df57fdf6f623f3ce8879d2657f9de482b2ca98675ab0a3d229c0a5 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | OSFVZIVSEXOTSX-UHFFFAOYSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 0.079181 | 1.477121 | 0.515662 | {
"nontransfer": 0.9999999999801963,
"transfer": 1.980376593743363e-11
} | ["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... | 1.477121 | 2.864515 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.072072 | 13 | 11 | 2 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"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,
... | {
"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(CO)c3)[C@@H]2O)c1</SMILES>
M... | (B) | train | 88a81cd81de64436b76e038f3dfbecdb139b9fe3a60eca4c1f387d8b2386a9fe | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | OSFVZIVSEXOTSX-UHFFFAOYSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 1.230449 | 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 | 17 | 11 | 6 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"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,
... | {
"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>CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Meas... | (B) | train | 079d2a783b9b26f02a3614b8adf297bde0d0156a9862c6e5afec358fc208747b | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | OSFVZIVSEXOTSX-UHFFFAOYSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 0.491362 | 1.064941 | 0.515662 | {
"nontransfer": 0.9999999413641044,
"transfer": 5.8635895545839293e-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... | 1.064941 | 2.065192 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.069565 | 20 | 11 | 9 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"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,
... | {
"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>COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1</SMILES>
Measured value: 0... | (B) | train | ba78218586b9e1810de128de66692f317343a0f22d79bfdb3d97007bd7a31985 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | OSFVZIVSEXOTSX-UHFFFAOYSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 0.380211 | 1.176091 | 0.515662 | {
"nontransfer": 0.9999999932072469,
"transfer": 6.792753088159199e-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... | 1.176091 | 2.280741 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.081818 | 6 | 11 | 16 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1 | {
"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,
... | {
"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>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 | 20d28f3fbc5fd06d7e4bcd2fb2b727a47e904871f5e5362a3bd7da06906be3b6 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | OSFVZIVSEXOTSX-UHFFFAOYSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 1.278754 | 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 | 7 | 11 | 17 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=C1NC(Cc2cccc(CC3CC(NCc4ccccc4)CS(=O)(=O)C3)c2)CO1 | {
"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,
... | {
"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 | a9b0dbef1bee46509a53f499c3785872fa0c4268fdddde2fcba1f89c4a7e98bc | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | OSFVZIVSEXOTSX-UHFFFAOYSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 1.30103 | 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 | 8 | 11 | 18 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | S=C(c1ccc(C2=c3cc4c(cc3[Se]c3c2cc2c5c3CCCN5CCC2)=[NH+]CCC4)s1)N1CCCCC1 | {
"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,
... | {
"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>CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Me... | (B) | train | bf0e9403705792a0ad94c1ea313d48c87ad576390baa511370caa5a226c638c0 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | OSFVZIVSEXOTSX-UHFFFAOYSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 0.740363 | 0.81594 | 0.515662 | {
"nontransfer": 0.9999926672620691,
"transfer": 0.000007332737930814342
} | ["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... | 0.81594 | 1.582315 | 0.000007 | 0.515662 | 0.000007 | 0.999993 | numeric_record_level_only | 0 | true | 0.066667 | 12 | 11 | 1 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"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,
... | {
"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](Cc3ccc(O)cc3)[C@@H]2O)c1</SMILES>
Measu... | (B) | train | 01e49f828733588ff294ad1921f6382496023d7033116bbdb67888444bea168c | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | OSFVZIVSEXOTSX-UHFFFAOYSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 0.623249 | 0.933053 | 0.515662 | {
"nontransfer": 0.999999243287584,
"transfer": 7.567124160025848e-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... | 0.933053 | 1.809428 | 0.000001 | 0.515662 | 0.000001 | 0.999999 | numeric_record_level_only | 0 | true | 0.072727 | 16 | 11 | 5 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"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,
... | {
"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 | 240dbc74a540079fa4e232e9c6c333c867ed4d93d73917967cb99ceba0b21d46 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | OSFVZIVSEXOTSX-UHFFFAOYSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 0.643453 | 0.91285 | 0.515662 | {
"nontransfer": 0.9999988803425043,
"transfer": 0.0000011196574957306433
} | ["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... | 0.91285 | 1.770249 | 0.000001 | 0.515662 | 0.000001 | 0.999999 | numeric_record_level_only | 0 | true | 0.067797 | 18 | 11 | 7 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"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,
... | {
"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 | 4cf582af86294aa5cb5b7addb5a6a0e7c84b36a3f68cc1574021194ca4ac7b42 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | OSFVZIVSEXOTSX-UHFFFAOYSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 0.477121 | 1.079181 | 0.515662 | {
"nontransfer": 0.9999999555133726,
"transfer": 4.4486627392011054e-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 | 0.070175 | 19 | 11 | 8 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"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,
... | {
"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>CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12</SMILES>
Measured value: 0.707570... | (B) | train | 2f80459a68249368333700fdb2285da4e7637c51c8cbe3772c1b0feae3d223f2 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | OSFVZIVSEXOTSX-UHFFFAOYSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 0.70757 | 0.848732 | 0.515662 | {
"nontransfer": 0.9999961177226081,
"transfer": 0.000003882277391876648
} | ["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... | 0.848732 | 1.645908 | 0.000004 | 0.515662 | 0.000004 | 0.999996 | numeric_record_level_only | 0 | true | 0.043478 | 1 | 11 | 11 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc2nc3ccccc3cc2c1 | {
"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,
... | {
"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 | 27a5b9808bc153aed322f4a6dbc127aa2e043808bb4839f68c4114c4af1acfbd | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | OSFVZIVSEXOTSX-UHFFFAOYSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 0.322219 | 1.234083 | 0.515662 | {
"nontransfer": 0.9999999977938596,
"transfer": 2.2061403644929878e-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... | 1.234083 | 2.393202 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.070175 | 2 | 11 | 12 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | {
"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,
... | {
"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 | 2af2ac6ca02cd303e476e4dba7ef9667d70d748670f02842985a1a7d71184729 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | OSFVZIVSEXOTSX-UHFFFAOYSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 0.539076 | 1.017226 | 0.515662 | {
"nontransfer": 0.999999852083046,
"transfer": 1.479169540042987e-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... | 1.017226 | 1.972661 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.103448 | 3 | 11 | 13 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc(Oc2ccc(-c3cc4n(n3)C(C3CCNCC3)CCN4)cc2)cc1 | {
"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,
... | {
"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 | 83ac9870d7bdb486370e4cb6a7c803763deffa975707f95dcf471c55b8bdd1a3 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | OSFVZIVSEXOTSX-UHFFFAOYSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 1.255273 | 0.30103 | 0.515662 | {
"nontransfer": 0.862681141347916,
"transfer": 0.13731885865208407
} | ["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... | 0.30103 | 0.583774 | 0.137319 | 0.515662 | 0.137319 | 0.862681 | numeric_record_level_only | 0 | true | 0.09434 | 4 | 11 | 14 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[NH+]CCC4)s1)N1CCCCC1 | c1ccc(CCCCNCc2ccccc2)cc1 | {
"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,
... | {
"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 | 5d1e32a16e79a75d048a9a857e7a4f5f38f6bf28a99109062ab2084eed5f4801 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | OSFVZIVSEXOTSX-UHFFFAOYSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]=2C | 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 | 1.556303 | 0.60206 | 0.954243 | 0.515662 | {
"nontransfer": 0.9999994982665625,
"transfer": 5.017334374731243e-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... | 0.954243 | 1.85052 | 0.000001 | 0.515662 | 0.000001 | 0.999999 | numeric_record_level_only | 0 | true | 0.849315 | 5 | 11 | 15 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | OSFVZIVSEXOTSX-UHFFFAOYSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | O=C(c1ccc(C2=c3cc4c(cc3[Se]c3cc5c(cc32)CCCN5)=[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": "1.55630250077",
"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,
... | {
"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>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1</SMILES>
Measu... | (A) | train | b5afdbfc5dcb99e4e4d1167624903d95ef2e9b604b32a2a040af00a714ea8870 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | COSNLASPZRJXQX-USZFVNFHSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | CCCCc1cc(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 | near | 0.740363 | 0.623249 | 0.117113 | 0.515662 | {
"nontransfer": 0.150731861749008,
"transfer": 0.849268138250992
} | ["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... | 0.117113 | 0.227113 | 0.849268 | 0.515662 | 0.849268 | 0.150732 | numeric_record_level_only | 1 | true | 0.71875 | 16 | 12 | 4 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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... | (A) | train | e9e7af0d4a32e06e4d046fccfd4a965ce5ca17fef16db78de99a82ba83b937fa | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | COSNLASPZRJXQX-USZFVNFHSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | CCCCc1cc(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 | near | 0.740363 | 0.643453 | 0.09691 | 0.515662 | {
"nontransfer": 0.10710420463436154,
"transfer": 0.8928957953656385
} | ["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... | 0.09691 | 0.187933 | 0.892896 | 0.515662 | 0.892896 | 0.107104 | numeric_record_level_only | 1 | true | 0.903226 | 18 | 12 | 6 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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>CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12</SMILES>
Measured value: 0.707570... | (A) | train | 1827e3090f0374b020dac03645dbedb526b16031757038221ea9512d0ceaf3c1 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | COSNLASPZRJXQX-USZFVNFHSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | CCCCc1cc(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 | near | 0.740363 | 0.70757 | 0.032793 | 0.515662 | {
"nontransfer": 0.033437448958982374,
"transfer": 0.9665625510410176
} | ["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... | 0.032793 | 0.063593 | 0.966563 | 0.515662 | 0.966563 | 0.033437 | numeric_record_level_only | 1 | true | 0.12 | 1 | 12 | 10 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2nc3ccccc3cc2c1 | {
"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,
... | {
"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>C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1</SMILES>
M... | (A) | train | d05971b43935de65a2ba18c4ba44240541fdd59cafb0618e8689256bbf060502 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | COSNLASPZRJXQX-USZFVNFHSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | CCCCc1cc(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 | near | 0.740363 | 0.539076 | 0.201287 | 0.515662 | {
"nontransfer": 0.47588383690563973,
"transfer": 0.5241161630943603
} | ["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... | 0.201287 | 0.390346 | 0.524116 | 0.515662 | 0.524116 | 0.475884 | numeric_record_level_only | 1 | false | 0.081081 | 3 | 12 | 12 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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+]... | (A) | train | 84b42d05cea12af5cc1b3d7c72eeb2ce94d0fc1fbf32476bc8c029d59c9c6496 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | COSNLASPZRJXQX-USZFVNFHSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | CCCCc1cc(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 | near | 0.740363 | 0.60206 | 0.138303 | 0.515662 | {
"nontransfer": 0.21115824676249717,
"transfer": 0.7888417532375028
} | ["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... | 0.138303 | 0.268204 | 0.788842 | 0.515662 | 0.788842 | 0.211158 | numeric_record_level_only | 1 | true | 0.058333 | 5 | 12 | 14 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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>CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1</SMILES>
Meas... | (B) | train | 3fe40e957a5b338e55ae56fb721cebd2c9103d784f191c91f0a2a776e144196e | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | COSNLASPZRJXQX-USZFVNFHSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | CCCCc1cc(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 | 0.740363 | 0.079181 | 0.661181 | 0.515662 | {
"nontransfer": 0.9998525678053903,
"transfer": 0.0001474321946096729
} | ["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... | 0.661181 | 1.282199 | 0.000147 | 0.515662 | 0.000147 | 0.999853 | numeric_record_level_only | 0 | true | 0.681818 | 13 | 12 | 1 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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 | 724059e57a9837d1517e72cc0b829d2f972149dfbdae344c41813ae973c81132 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | COSNLASPZRJXQX-USZFVNFHSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | CCCCc1cc(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 | 0.740363 | 1.681241 | 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 | 14 | 12 | 2 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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 | 722d4253d5abb9f597d21c4d0ed778390d1a2c4a2e79ad9993c2598632c65889 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | COSNLASPZRJXQX-USZFVNFHSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | CCCCc1cc(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 | 0.740363 | 1.50515 | 0.764787 | 0.515662 | {
"nontransfer": 0.9999802270583285,
"transfer": 0.000019772941671564692
} | ["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... | 0.764787 | 1.483118 | 0.00002 | 0.515662 | 0.00002 | 0.99998 | numeric_record_level_only | 0 | true | 0.84375 | 15 | 12 | 3 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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... | (B) | train | e4ebb83cb1fd0969daa66191a83d8c65ea7b22617fadf93c7f9c9b990c024eb2 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | COSNLASPZRJXQX-USZFVNFHSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | CCCCc1cc(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 | far | 0.740363 | 1.230449 | 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 | 17 | 12 | 5 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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>CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Meas... | (B) | train | 9cdb6e2ebba69fb5eafebbcd51c65688dd2750a4bb64bf081c920564d3f6c0f8 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | COSNLASPZRJXQX-USZFVNFHSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | CCCCc1cc(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 | 0.740363 | 0.491362 | 0.249001 | 0.515662 | {
"nontransfer": 0.6960936184966672,
"transfer": 0.3039063815033328
} | ["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... | 0.249001 | 0.482876 | 0.303906 | 0.515662 | 0.303906 | 0.696094 | numeric_record_level_only | 0 | true | 0.854839 | 20 | 12 | 8 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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 | bfd62e307fb3c0488b52d677e461af8511a457db605e8f360c40cbc8b6f57392 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | COSNLASPZRJXQX-USZFVNFHSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | CCCCc1cc(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 | 0.740363 | 1.568202 | 0.827839 | 0.515662 | {
"nontransfer": 0.9999941782890941,
"transfer": 0.000005821710905946785
} | ["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... | 0.827839 | 1.605391 | 0.000006 | 0.515662 | 0.000006 | 0.999994 | numeric_record_level_only | 0 | true | 0.069565 | 0 | 12 | 9 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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>COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1</SMILES>
Measured value: 0... | (B) | train | f49ff96b726039075d12a7b9fa38ebb8f528b4ca69485a1cc5510d50eb1cfe53 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | COSNLASPZRJXQX-USZFVNFHSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | CCCCc1cc(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 | 0.740363 | 0.380211 | 0.360151 | 0.515662 | {
"nontransfer": 0.9518577418483875,
"transfer": 0.04814225815161256
} | ["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... | 0.360151 | 0.698426 | 0.048142 | 0.515662 | 0.048142 | 0.951858 | numeric_record_level_only | 0 | true | 0.07767 | 6 | 12 | 15 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1 | {
"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,
... | {
"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>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 | 72ff38ad00663941cf2b353f17c97f9a06792205c243cf63d6e0542a1da5b098 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | COSNLASPZRJXQX-USZFVNFHSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O | 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 | 0.740363 | 1.278754 | 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 | 7 | 12 | 16 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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 | 30b4c0b47749f2a08ffeff2ec9c52c4c8dafccf8cab2af075dc4148bcc833f50 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | COSNLASPZRJXQX-USZFVNFHSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | CCCCc1cc(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 | far | 0.740363 | 1.30103 | 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 | 8 | 12 | 17 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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... | (B) | train | 8cab0770c6ca1d56b23090810313eeb4581f038995cea85a512402e3e43a571e | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | COSNLASPZRJXQX-USZFVNFHSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | CCCCc1cc(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 | far | 0.740363 | 1.361728 | 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 | 9 | 12 | 18 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | b1079a264389cab6211827ce864f3aac5680ef9224e9cbf2048f63abdb27353b | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | COSNLASPZRJXQX-USZFVNFHSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | CCCCc1cc(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 | 0.740363 | 1.556303 | 0.81594 | 0.515662 | {
"nontransfer": 0.9999926672620691,
"transfer": 0.000007332737930814342
} | ["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... | 0.81594 | 1.582315 | 0.000007 | 0.515662 | 0.000007 | 0.999993 | numeric_record_level_only | 0 | true | 0.066667 | 11 | 12 | 20 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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(Br)c3)[C@@H]2O)c1</SMILES>
M... | (B) | train | c1972ac096cf54c0711d488a9a3f2b0094d72003405e3b17cf024d4c54c84adc | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | COSNLASPZRJXQX-USZFVNFHSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | CCCCc1cc(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 | 0.740363 | 0.477121 | 0.263241 | 0.515662 | {
"nontransfer": 0.7511813721778016,
"transfer": 0.24881862782219846
} | ["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... | 0.263241 | 0.510492 | 0.248819 | 0.515662 | 0.248819 | 0.751181 | numeric_record_level_only | 0 | true | 0.753846 | 19 | 12 | 7 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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>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 | 680dab64e8a2521d565bd16788711854ed8618bd06f3c656e7fda282def760c7 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | COSNLASPZRJXQX-USZFVNFHSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | CCCCc1cc(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 | 0.740363 | 0.322219 | 0.418143 | 0.515662 | {
"nontransfer": 0.9838390906120804,
"transfer": 0.016160909387919593
} | ["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... | 0.418143 | 0.810887 | 0.016161 | 0.515662 | 0.016161 | 0.983839 | numeric_record_level_only | 0 | true | 0.561644 | 2 | 12 | 11 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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>CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1</SMILES>
Measured va... | (B) | train | 5e87119488fb20df7f8c0b43bff4237f411686347d3ba0b0a0fa63e4c17de9ce | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | COSNLASPZRJXQX-USZFVNFHSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | CCCCc1cc(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 | far | 0.740363 | 1.255273 | 0.51491 | 0.515662 | {
"nontransfer": 0.9974911399159057,
"transfer": 0.0025088600840943442
} | ["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... | 0.51491 | 0.998541 | 0.002509 | 0.515662 | 0.002509 | 0.997491 | numeric_record_level_only | 0 | true | 0.270588 | 4 | 12 | 13 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc(CCCCNCc2ccccc2)cc1 | {
"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,
... | {
"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 | c05661bb5efa0c45e7cdb4a764d5c9ea3106f055c360079a902a7c77c13fef00 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | COSNLASPZRJXQX-USZFVNFHSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | CCCCc1cc(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 | 0.740363 | 1.755875 | 1.015512 | 0.515662 | {
"nontransfer": 0.999999847083137,
"transfer": 1.5291686297776454e-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... | 1.015512 | 1.969337 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.06087 | 10 | 12 | 19 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | COSNLASPZRJXQX-USZFVNFHSA-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": "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,
... | {
"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>CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Meas... | (A) | train | e9ac1bafb0e45f73be9100eaed2fa879aceb17e1cbe7a99fbee85665a5547059 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | YJFRNEHCLIEELY-HJNYFJLDSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | near | 0.623249 | 0.491362 | 0.131888 | 0.515662 | {
"nontransfer": 0.1911796785958263,
"transfer": 0.8088203214041737
} | ["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... | 0.131888 | 0.255764 | 0.80882 | 0.515662 | 0.80882 | 0.19118 | numeric_record_level_only | 1 | true | 0.779661 | 20 | 16 | 4 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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>CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Me... | (A) | train | 59a30dd09dccc2950442ca72f508e7a21f245b87a76c56436d257f673416ed9d | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | YJFRNEHCLIEELY-HJNYFJLDSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | near | 0.623249 | 0.740363 | 0.117113 | 0.515662 | {
"nontransfer": 0.150731861749008,
"transfer": 0.849268138250992
} | ["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... | 0.117113 | 0.227113 | 0.849268 | 0.515662 | 0.849268 | 0.150732 | numeric_record_level_only | 1 | true | 0.71875 | 12 | 16 | 17 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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>CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Mea... | (A) | train | 93a3671dd99686328ec7a9d1cf676787833c5bfc261a0b08b792674d00d135c3 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | YJFRNEHCLIEELY-HJNYFJLDSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | near | 0.623249 | 0.643453 | 0.020203 | 0.515662 | {
"nontransfer": 0.02638539748262192,
"transfer": 0.9736146025173781
} | ["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... | 0.020203 | 0.03918 | 0.973615 | 0.515662 | 0.973615 | 0.026385 | numeric_record_level_only | 1 | true | 0.741935 | 18 | 16 | 2 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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... | (A) | train | 2076893b737129a6e1e8d708fb25ea123196937a523835fd09dd6b5afb1cb6b3 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | YJFRNEHCLIEELY-HJNYFJLDSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | near | 0.623249 | 0.477121 | 0.146128 | 0.515662 | {
"nontransfer": 0.2375416980745262,
"transfer": 0.7624583019254738
} | ["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... | 0.146128 | 0.28338 | 0.762458 | 0.515662 | 0.762458 | 0.237542 | numeric_record_level_only | 1 | true | 0.793103 | 19 | 16 | 3 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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>CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12</SMILES>
Measured value: 0.707570... | (A) | train | 064c113373cebb1100e994c0fcc7d2026e7652de833bc6fa33226532f5938b1f | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | YJFRNEHCLIEELY-HJNYFJLDSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | near | 0.623249 | 0.70757 | 0.084321 | 0.515662 | {
"nontransfer": 0.0858963258039962,
"transfer": 0.9141036741960038
} | ["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... | 0.084321 | 0.16352 | 0.914104 | 0.515662 | 0.914104 | 0.085896 | numeric_record_level_only | 1 | true | 0.108696 | 1 | 16 | 6 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2nc3ccccc3cc2c1 | {
"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,
... | {
"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>C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1</SMILES>
M... | (A) | train | 8fdfd751737f16b28fba8dfa080123451d3fecec99abb5e6f8b4e191f46b1620 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | YJFRNEHCLIEELY-HJNYFJLDSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | near | 0.623249 | 0.539076 | 0.084173 | 0.515662 | {
"nontransfer": 0.08567170342598318,
"transfer": 0.9143282965740168
} | ["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... | 0.084173 | 0.163233 | 0.914328 | 0.515662 | 0.914328 | 0.085672 | numeric_record_level_only | 1 | true | 0.089109 | 3 | 16 | 8 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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+]... | (A) | train | 398815c82cea4ac615d160ef861344bf4641db915ae71dc2bd9b0fe0b8389e91 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | YJFRNEHCLIEELY-HJNYFJLDSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | near | 0.623249 | 0.60206 | 0.021189 | 0.515662 | {
"nontransfer": 0.02688103187527391,
"transfer": 0.9731189681247261
} | ["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... | 0.021189 | 0.041091 | 0.973119 | 0.515662 | 0.973119 | 0.026881 | numeric_record_level_only | 1 | true | 0.063636 | 5 | 16 | 10 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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>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 | cc565c7e4b1a2e6450e0c955448be4c94fa3f7abb795945bd3b1ee2cbd923f17 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | YJFRNEHCLIEELY-HJNYFJLDSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1 | 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 | 0.623249 | 1.230449 | 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 | 17 | 16 | 1 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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>O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | d05f9dbe9851c8a108b920339ad4e20cd97e9a56a26c6cf63872fe323017c6a4 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | YJFRNEHCLIEELY-HJNYFJLDSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | 0.623249 | 1.568202 | 0.944952 | 0.515662 | {
"nontransfer": 0.9999993992210008,
"transfer": 6.007789991620005e-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... | 0.944952 | 1.832504 | 0.000001 | 0.515662 | 0.000001 | 0.999999 | numeric_record_level_only | 0 | true | 0.07619 | 0 | 16 | 5 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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>COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1</SMILES>
Measured value: 0... | (B) | train | 92f811020765f9d8d1a0a1c5f7e8c2d8aec3b5947c135b1d9b109e30b7ac714a | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | YJFRNEHCLIEELY-HJNYFJLDSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | 0.623249 | 0.380211 | 0.243038 | 0.515662 | {
"nontransfer": 0.671091900682778,
"transfer": 0.32890809931722204
} | ["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... | 0.243038 | 0.471313 | 0.328908 | 0.515662 | 0.328908 | 0.671092 | numeric_record_level_only | 0 | true | 0.086022 | 6 | 16 | 11 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1 | {
"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,
... | {
"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>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 | c7e395489524c889ccbc502be717e238123d0c4174cca8d25052201375c1fd4e | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | YJFRNEHCLIEELY-HJNYFJLDSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | far | 0.623249 | 1.278754 | 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 | 7 | 16 | 12 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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 | 385a1053f928d7598a2e9211e9adfdebca37f4633fe54e1f0ef5460b1315bd04 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | YJFRNEHCLIEELY-HJNYFJLDSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | far | 0.623249 | 1.30103 | 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 | 8 | 16 | 13 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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... | (B) | train | 3f0441261c00d28af8dbd3b814240397e7316318684565970a99155d02ca6bc0 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | YJFRNEHCLIEELY-HJNYFJLDSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | far | 0.623249 | 1.361728 | 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 | 9 | 16 | 14 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | b66cb7bb72ea319a4659a5d3ef06a627753d4b60dbcee51ade2cb7e05a24485e | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | YJFRNEHCLIEELY-HJNYFJLDSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | 0.623249 | 1.556303 | 0.933053 | 0.515662 | {
"nontransfer": 0.999999243287584,
"transfer": 7.567124160025848e-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... | 0.933053 | 1.809428 | 0.000001 | 0.515662 | 0.000001 | 0.999999 | numeric_record_level_only | 0 | true | 0.072727 | 11 | 16 | 16 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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](Cc3cccc(Br)c3)[C@@H]2O)c1</SMILES>
Meas... | (B) | train | 7e6cd543f72251e39aafeb4ad7a5cfb8d1a0afcd5dfd74db54d85ddc7471f525 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | YJFRNEHCLIEELY-HJNYFJLDSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | 0.623249 | 0.079181 | 0.544068 | 0.515662 | {
"nontransfer": 0.9985731628320133,
"transfer": 0.0014268371679867144
} | ["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... | 0.544068 | 1.055087 | 0.001427 | 0.515662 | 0.001427 | 0.998573 | numeric_record_level_only | 0 | true | 0.77193 | 13 | 16 | 18 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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 | 5bb50e0bfcaf7af9b6d2b893f5266426fcdd19b86fa410a08f7ac14b6d2e729c | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | YJFRNEHCLIEELY-HJNYFJLDSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | 0.623249 | 1.681241 | 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 | 14 | 16 | 19 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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 | 78e912a7b5301a64e5bffaf32ee0eb23962caec1846ceefef57ea8703542f7d3 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | YJFRNEHCLIEELY-HJNYFJLDSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | 0.623249 | 1.50515 | 0.881901 | 0.515662 | {
"nontransfer": 0.9999979594801376,
"transfer": 0.000002040519862454299
} | ["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... | 0.881901 | 1.71023 | 0.000002 | 0.515662 | 0.000002 | 0.999998 | numeric_record_level_only | 0 | true | 0.741935 | 15 | 16 | 20 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES... | (B) | train | 6b576304fee7a3dda30dfd5a920caa43aafe0a30b95ad72e43bc3e3db07f3443 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | YJFRNEHCLIEELY-HJNYFJLDSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | 0.623249 | 0.322219 | 0.30103 | 0.515662 | {
"nontransfer": 0.8626811413479156,
"transfer": 0.13731885865208432
} | ["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... | 0.30103 | 0.583774 | 0.137319 | 0.515662 | 0.137319 | 0.862681 | numeric_record_level_only | 0 | true | 0.575758 | 2 | 16 | 7 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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>CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1</SMILES>
Measured va... | (B) | train | d3e5f3a10328f6dd622eb6c7dc1094b38cb3c004b32d6f74c42e35626480b8a3 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | YJFRNEHCLIEELY-HJNYFJLDSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | far | 0.623249 | 1.255273 | 0.632023 | 0.515662 | {
"nontransfer": 0.9997405124493683,
"transfer": 0.0002594875506316875
} | ["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... | 0.632023 | 1.225654 | 0.000259 | 0.515662 | 0.000259 | 0.999741 | numeric_record_level_only | 0 | true | 0.306667 | 4 | 16 | 9 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc(CCCCNCc2ccccc2)cc1 | {
"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,
... | {
"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 | 5eeabd25147a5e5a64f458642b3826d46c9de34de38ac21b6d572d6b1c50784d | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | YJFRNEHCLIEELY-HJNYFJLDSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[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 | 0.623249 | 1.755875 | 1.132626 | 0.515662 | {
"nontransfer": 0.9999999842196264,
"transfer": 1.578037355928461e-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... | 1.132626 | 2.19645 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.066667 | 10 | 16 | 15 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YJFRNEHCLIEELY-HJNYFJLDSA-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": "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,
... | {
"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>CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Meas... | (A) | train | eeb85d83855fb22ba9f8a47ea31427591ac5db6978f6b3082f0bb757a18f8cb1 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | near | 0.477121 | 0.491362 | 0.01424 | 0.515662 | {
"nontransfer": 0.023571997401763745,
"transfer": 0.9764280025982363
} | ["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... | 0.01424 | 0.027616 | 0.976428 | 0.515662 | 0.976428 | 0.023572 | numeric_record_level_only | 1 | true | 0.816667 | 20 | 19 | 1 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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>COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1</SMILES>
Measured value: 0... | (A) | train | 33f174021065238290909761f1150ec14bf2508c662e78d4fd49616e4410be5a | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | near | 0.477121 | 0.380211 | 0.09691 | 0.515662 | {
"nontransfer": 0.10710420463436154,
"transfer": 0.8928957953656385
} | ["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... | 0.09691 | 0.187933 | 0.892896 | 0.515662 | 0.892896 | 0.107104 | numeric_record_level_only | 1 | true | 0.082474 | 6 | 19 | 8 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1 | {
"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,
... | {
"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)cc3)[C@@H]2O)c1</SMILES>
Measu... | (A) | train | 7798ba7a6e6cb2f6fbdea7729704248aa07e10399c453ccb100ebd62b713ad9e | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | RWFVYPSAMVBVLR-CBQOVEMMSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | near | 0.477121 | 0.623249 | 0.146128 | 0.515662 | {
"nontransfer": 0.2375416980745262,
"transfer": 0.7624583019254738
} | ["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... | 0.146128 | 0.28338 | 0.762458 | 0.515662 | 0.762458 | 0.237542 | numeric_record_level_only | 1 | true | 0.793103 | 16 | 19 | 18 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1</SMILES... | (A) | train | 0ad26da42e27213127bd6ac6405fc4ca811dc7de71261b56ed9563d3480e5cd6 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | YHCNHDIDECZSCA-AGHHOFFYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | near | 0.477121 | 0.322219 | 0.154902 | 0.515662 | {
"nontransfer": 0.26971759091371394,
"transfer": 0.730282409086286
} | ["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... | 0.154902 | 0.300394 | 0.730282 | 0.515662 | 0.730282 | 0.269718 | numeric_record_level_only | 1 | true | 0.741935 | 2 | 19 | 4 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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... | (A) | train | afce04d8be0046966aa70a7a7fb8f6fb1334e2893787059df290a94114429d6f | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | near | 0.477121 | 0.539076 | 0.061955 | 0.515662 | {
"nontransfer": 0.05740325577822025,
"transfer": 0.9425967442217797
} | ["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... | 0.061955 | 0.120146 | 0.942597 | 0.515662 | 0.942597 | 0.057403 | numeric_record_level_only | 1 | true | 0.085714 | 3 | 19 | 5 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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+]... | (A) | train | a15311678f52e9c445d434b22dd4642d2a30a14a62be18a3cd7a8c0ac9134e4e | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | RWFVYPSAMVBVLR-CBQOVEMMSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | near | 0.477121 | 0.60206 | 0.124939 | 0.515662 | {
"nontransfer": 0.17120386040698388,
"transfer": 0.8287961395930161
} | ["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 | 0.061404 | 5 | 19 | 7 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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>CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Mea... | (A) | train | 5597db5411993af62d37a1fd1aca195bb34fdfb967d9949eb8160d65f6a56b61 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | near | 0.477121 | 0.643453 | 0.166331 | 0.515662 | {
"nontransfer": 0.31552602633947735,
"transfer": 0.6844739736605226
} | ["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... | 0.166331 | 0.322559 | 0.684474 | 0.515662 | 0.684474 | 0.315526 | numeric_record_level_only | 1 | true | 0.777778 | 18 | 19 | 20 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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>O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | 659b1db4c622df8c11d4b760ff8488a78d08babe797331fc312b4ab510fe0af0 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.477121 | 1.568202 | 1.09108 | 0.515662 | {
"nontransfer": 0.9999999646806013,
"transfer": 3.5319398747655205e-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... | 1.09108 | 2.115883 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.073394 | 0 | 19 | 2 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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>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 | dca7dd54c1a18bbab51c56a052a9d2b31ba3b27d6d235dd9dbe64c81520becc4 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | far | 0.477121 | 1.278754 | 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 | 7 | 19 | 9 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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 | 9d0ad3423278f08404dca7789f060be72cafe00729ac02661e37e65eebafbc95 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | far | 0.477121 | 1.30103 | 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 | 8 | 19 | 10 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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... | (B) | train | f84c5c43c2043a6ab87f6a7fb89adb57fc7181c62b9115edda61e9e0fa15bb7c | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | RWFVYPSAMVBVLR-CBQOVEMMSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | far | 0.477121 | 1.361728 | 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 | 9 | 19 | 11 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | b39fa2353ca17d78e6a5a51456525cb1da1f5d1bc65264c9c040d70e9d12b8f0 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.477121 | 1.556303 | 1.079181 | 0.515662 | {
"nontransfer": 0.9999999555133726,
"transfer": 4.4486627392011054e-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 | 0.070175 | 11 | 19 | 13 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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 | 3f9ad4b80c928a0f900a4d457a39b3ceb00d05c2b0ab2746641387a0bb8b33be | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.477121 | 0.740363 | 0.263241 | 0.515662 | {
"nontransfer": 0.7511813721778016,
"transfer": 0.24881862782219846
} | ["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... | 0.263241 | 0.510492 | 0.248819 | 0.515662 | 0.248819 | 0.751181 | numeric_record_level_only | 0 | true | 0.753846 | 12 | 19 | 14 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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 | 1e821c7135253fdd6db982f6166fc3a6d63b4317b575ec71e349a8dd7a29102b | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | RWFVYPSAMVBVLR-CBQOVEMMSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.477121 | 0.079181 | 0.39794 | 0.515662 | {
"nontransfer": 0.9762716847277386,
"transfer": 0.023728315272261373
} | ["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... | 0.39794 | 0.771707 | 0.023728 | 0.515662 | 0.023728 | 0.976272 | numeric_record_level_only | 0 | true | 0.810345 | 13 | 19 | 15 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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 | ec6af43d45722c74b27da11279415000cfad4b4a9ecb06d3c4429fb0dcb18747 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | RWFVYPSAMVBVLR-CBQOVEMMSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.477121 | 1.681241 | 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 | 14 | 19 | 16 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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 | 78be21bef6b43fb102b95beff67a7b508dabe2fee8f469d97029eaabbec7adb0 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.477121 | 1.50515 | 1.028029 | 0.515662 | {
"nontransfer": 0.9999998800390286,
"transfer": 1.1996097140076636e-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... | 1.028029 | 1.99361 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.777778 | 15 | 19 | 17 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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... | (B) | train | 18c50073a2de257371fc309c38d629f83e30df03c964dc45ae806618228cdc84 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | RWFVYPSAMVBVLR-CBQOVEMMSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | 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 | 0.477121 | 1.230449 | 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 | 17 | 19 | 19 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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>CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12</SMILES>
Measured value: 0.707570... | (B) | train | 34ce8b46cbb97c074a4a9f998c29b70a88f5f1adfa2ce749abf735e35bab8342 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | RWFVYPSAMVBVLR-CBQOVEMMSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.477121 | 0.70757 | 0.230449 | 0.515662 | {
"nontransfer": 0.6151452477556993,
"transfer": 0.3848547522443007
} | ["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... | 0.230449 | 0.446899 | 0.384855 | 0.515662 | 0.384855 | 0.615145 | numeric_record_level_only | 0 | true | 0.104167 | 1 | 19 | 3 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2nc3ccccc3cc2c1 | {
"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,
... | {
"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(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1</SMILES>
Measured va... | (B) | train | fd134f1679ef893c5b79117d6a3d556f2ee1040b3aaa0846693a54b7e9cc60d4 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | RWFVYPSAMVBVLR-CBQOVEMMSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | far | 0.477121 | 1.255273 | 0.778151 | 0.515662 | {
"nontransfer": 0.999984741180994,
"transfer": 0.000015258819006016213
} | ["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... | 0.778151 | 1.509034 | 0.000015 | 0.515662 | 0.000015 | 0.999985 | numeric_record_level_only | 0 | true | 0.291139 | 4 | 19 | 6 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc(CCCCNCc2ccccc2)cc1 | {
"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,
... | {
"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 | 3ee42144c3e1ed0173664cd34ebe53e6710d28aa1bca566efd542de14e261431 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | RWFVYPSAMVBVLR-CBQOVEMMSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.477121 | 1.755875 | 1.278754 | 0.515662 | {
"nontransfer": 0.9999999990722829,
"transfer": 9.277171805641317e-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... | 1.278754 | 2.479829 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.06422 | 10 | 19 | 12 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | RWFVYPSAMVBVLR-CBQOVEMMSA-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": "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,
... | {
"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>COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1</SMILES>
Measured value: 0... | (A) | train | 496690a1244f5fbc3256a1fc16c6aa877e9021b17e98587f3718d31ca5a576ed | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:608d83973c28b63bba4267aea7217a9a72eaba72708db9153de05219d72ecec6 | YHCNHDIDECZSCA-AGHHOFFYSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | near | 0.322219 | 0.380211 | 0.057992 | 0.515662 | {
"nontransfer": 0.053383708073214686,
"transfer": 0.9466162919267853
} | ["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... | 0.057992 | 0.112461 | 0.946616 | 0.515662 | 0.946616 | 0.053384 | numeric_record_level_only | 1 | true | 0.082474 | 6 | 2 | 4 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-N | NMDDEXFRYBASBH-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1 | {
"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,
... | {
"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(Br)c3)[C@@H]2O)c1</SMILES>
M... | (A) | train | 285fdfba3f8a4418c46c129b1f16b94238295d121ffff1c8cdacb6f3129de863 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:a81ae8676a9d4ceaf6dcfb4e0ef3c69d9509198730ba26b1024ae1d58ce1895d | YHCNHDIDECZSCA-AGHHOFFYSA-N | RWFVYPSAMVBVLR-CBQOVEMMSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | near | 0.322219 | 0.477121 | 0.154902 | 0.515662 | {
"nontransfer": 0.26971759091371394,
"transfer": 0.730282409086286
} | ["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... | 0.154902 | 0.300394 | 0.730282 | 0.515662 | 0.730282 | 0.269718 | numeric_record_level_only | 1 | true | 0.741935 | 19 | 2 | 17 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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... | (A) | train | 6e734da945470b9baa331814b4e38f52fd3245a658f68fa446b82bf4345d7586 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:680dce991039fde36ff046e06eb8ae979f99f765b57b4ce5a91f06e32e5a4aa8 | YHCNHDIDECZSCA-AGHHOFFYSA-N | BYTGAALBWBYPIF-GPXNEJASSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | near | 0.322219 | 0.491362 | 0.169142 | 0.515662 | {
"nontransfer": 0.32741556997601495,
"transfer": 0.672584430023985
} | ["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... | 0.169142 | 0.32801 | 0.672584 | 0.515662 | 0.672584 | 0.327416 | numeric_record_level_only | 1 | true | 0.602941 | 20 | 2 | 18 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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>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 | 4e6630405075996c9018fb571c58908d7efa5841e8287e509234e556d1f0b378 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:3b0afe2728790231bddf9f8d9cd987bccc23539c9d24b4a546ef086e09516141 | YHCNHDIDECZSCA-AGHHOFFYSA-N | JYNDAPHZRSRSGI-KAHNYGAISA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | far | 0.322219 | 1.278754 | 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 | 7 | 2 | 5 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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 | 5d639e8d4377a52e4ed21b26f159b47cb69677517fc760998014bfa6f08a086c | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:2c87c7ebd5d0ed7cc63abac67967a4ceef436679a8d97118e3165cf57aabf002 | YHCNHDIDECZSCA-AGHHOFFYSA-N | FSHJLZQAUQDGQC-UHFFFAOYSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | far | 0.322219 | 1.30103 | 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 | 8 | 2 | 6 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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... | (B) | train | 54fa5bfaaa908d46d060dd13ab86c46505283d3ea189dc08c30b8f10a66f356b | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:554531b6f93494b7c47bee6377085787afa763b7e882641f59d92cacd8ec158d | YHCNHDIDECZSCA-AGHHOFFYSA-N | WLKPKWJBEUBAOG-NWSQWKLXSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | far | 0.322219 | 1.361728 | 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 | 9 | 2 | 7 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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>CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=O)N3CCCCC3)s1)C(C)(C)CC[N+]... | (B) | train | 050a078e9a0183dd08b82927e35453f92c3e60cf52e69fcb8f13c1e8bcc0979a | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:780b0424ee6169ab682cc68f66015c4d741368a744184c229d0d338299f9c4c8 | YHCNHDIDECZSCA-AGHHOFFYSA-N | OSFVZIVSEXOTSX-UHFFFAOYSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 1.556303 | 1.234083 | 0.515662 | {
"nontransfer": 0.9999999977938596,
"transfer": 2.2061403644929878e-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... | 1.234083 | 2.393202 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.070175 | 11 | 2 | 9 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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 | d62dd5ebe1ab9fd1cf5cefba56a931d12f74975ea8e90dd4bb7f3b4117beb3a5 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:839af789941b1b704d26de68668f6ea5375d059fd49ee4b47bfb6536083b0243 | YHCNHDIDECZSCA-AGHHOFFYSA-N | COSNLASPZRJXQX-USZFVNFHSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 0.740363 | 0.418143 | 0.515662 | {
"nontransfer": 0.9838390906120804,
"transfer": 0.016160909387919593
} | ["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... | 0.418143 | 0.810887 | 0.016161 | 0.515662 | 0.016161 | 0.983839 | numeric_record_level_only | 0 | true | 0.561644 | 12 | 2 | 10 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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 | 07f643af590d6f4d94a215b7341d8b27fe54a554eb05d481756614edf9c38b89 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:6bc033f9e36e2bfbe788d4067a375a89eb9f2c5cc4308bae166b9b1d8ce79d2f | YHCNHDIDECZSCA-AGHHOFFYSA-N | BNQCGJHFIWENNV-HJNYFJLDSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 0.079181 | 0.243038 | 0.515662 | {
"nontransfer": 0.6710919006827782,
"transfer": 0.3289080993172218
} | ["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... | 0.243038 | 0.471313 | 0.328908 | 0.515662 | 0.328908 | 0.671092 | numeric_record_level_only | 0 | true | 0.590909 | 13 | 2 | 11 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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 | e6e34c65b59a5cd43dbf1d447f66e2a8b03804238e140cd51250ed32f34928b7 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:42e86d4b5142e0dce399aaa6e8ee05dda086b0e215700ced34187bb19089924c | YHCNHDIDECZSCA-AGHHOFFYSA-N | NOWWWDMCHYVHPH-UHFFFAOYSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 1.681241 | 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 | 14 | 2 | 12 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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 | 057e2c9090a8984c41be3983c4ebb2df87a7d911e38dfedbbe7e35535a890d74 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:61b188d9ee3db07783506ed69c712fc31b2d2876c7cdc451029662cd4f0c92f7 | YHCNHDIDECZSCA-AGHHOFFYSA-N | UAFFQIGZGPYEIP-GPXNEJASSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 1.50515 | 1.182931 | 0.515662 | {
"nontransfer": 0.9999999940510041,
"transfer": 5.9489958144667226e-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... | 1.182931 | 2.294004 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.577465 | 15 | 2 | 13 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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 | 5abf4934db956d779a4658e26f827a8b56bec5ed5aecbeecc252adebfcf0f391 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:8bd4cb49d6a6fd03d25ba8d6428142ee9ea750018b7cecadc07412d21038090d | YHCNHDIDECZSCA-AGHHOFFYSA-N | YJFRNEHCLIEELY-HJNYFJLDSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 0.623249 | 0.30103 | 0.515662 | {
"nontransfer": 0.8626811413479156,
"transfer": 0.13731885865208432
} | ["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... | 0.30103 | 0.583774 | 0.137319 | 0.515662 | 0.137319 | 0.862681 | numeric_record_level_only | 0 | true | 0.575758 | 16 | 2 | 14 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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 | 5fe17befa785d14c146a6b886d2390fec708eaaf511b4a6b242434a46e42ea24 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:503d945e658cd1cf040f457a07fe6aadafb5a931a197e802df7a1d902ac210ab | YHCNHDIDECZSCA-AGHHOFFYSA-N | GDDUFVNKGWWPLA-GIWBLDEGSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 | 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 | 0.322219 | 1.230449 | 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 | 17 | 2 | 15 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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>O=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | 1a47bc59c4a354b16f28bae6113f9fbe8f2ea87f6961372eb09cd44d535aefb7 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:57fd73c1f51e3807a507703c1a25b4ad999813550c130cb41480323ba74fd540 | YHCNHDIDECZSCA-AGHHOFFYSA-N | FPTQTBWLPVVZJB-UHFFFAOYSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 1.568202 | 1.245982 | 0.515662 | {
"nontransfer": 0.9999999982484725,
"transfer": 1.7515274840082668e-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... | 1.245982 | 2.416278 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.073394 | 0 | 2 | 19 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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>C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1</SMILES>
M... | (B) | train | b3fcc1c3f6b16bd7f131f131f68c01e7b3c672488b8d2ecd42c65f125ee811d5 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:f79e27389fa90b3b6b474fc528e596381a0c0a95f5a7a53e00ac5c31f6c05246 | YHCNHDIDECZSCA-AGHHOFFYSA-N | RNOAOAWBMHREKO-QFIPXVFZSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 0.539076 | 0.216857 | 0.515662 | {
"nontransfer": 0.5511718549803097,
"transfer": 0.4488281450196903
} | ["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... | 0.216857 | 0.420541 | 0.448828 | 0.515662 | 0.448828 | 0.551172 | numeric_record_level_only | 0 | false | 0.085714 | 3 | 2 | 1 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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 | b17619db432e6353771ed69d3bc0638997ef172698467a0f5a7e8afbe4b5bb98 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:ee2bceca5008bdef8010427fb5b07fb39b432c56e9c3b08fe0123e2cdd8acc0e | YHCNHDIDECZSCA-AGHHOFFYSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | far | 0.322219 | 1.255273 | 0.933053 | 0.515662 | {
"nontransfer": 0.999999243287584,
"transfer": 7.567124160025874e-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... | 0.933053 | 1.809428 | 0.000001 | 0.515662 | 0.000001 | 0.999999 | numeric_record_level_only | 0 | true | 0.172414 | 4 | 2 | 2 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-N | BCHBFHFXBPRLMV-FCHUYYIVSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc(CCCCNCc2ccccc2)cc1 | {
"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,
... | {
"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 | 35ba687773c6687357e241593696c2135be98771fecd03f1b0105e16f185a13b | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:f2b2eec3e2e99a5ff12c5bb3e556cf39c0d475c0c2b95d17a853c712c124d6cb | YHCNHDIDECZSCA-AGHHOFFYSA-N | FWZCXWUFOCWFMO-UHFFFAOYSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 0.60206 | 0.279841 | 0.515662 | {
"nontransfer": 0.8064061209398288,
"transfer": 0.19359387906017123
} | ["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... | 0.279841 | 0.542682 | 0.193594 | 0.515662 | 0.193594 | 0.806406 | numeric_record_level_only | 0 | true | 0.061404 | 5 | 2 | 3 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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>S=C(c1ccc(C2=c3cc4c5c(c3[Se]c3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)s1)N1CCCCC1</S... | (B) | train | 181adbaa9081ea2ab441f05fbfe5e5a69eb93b895fb933217a02a497e4a15667 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:c0f656e05e418bb51b47a129a67a5c7491d907fcf1e2d04a3ebb9193323f27be | YHCNHDIDECZSCA-AGHHOFFYSA-N | KNJJZAKWOYNCRI-UHFFFAOYSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 1.755875 | 1.433656 | 0.515662 | {
"nontransfer": 0.9999999999539935,
"transfer": 4.6006504743803045e-11
} | ["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... | 1.433656 | 2.780224 | 0 | 0.515662 | 0 | 1 | numeric_record_level_only | 0 | true | 0.06422 | 10 | 2 | 8 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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>CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O</SMILES>
Mea... | (B) | train | 9a4f129ba58bfe0765cff8ef6b73b4b3b64335a8ac2892fc84069004db006413 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:cfa7f07d10144916658cc7100a64a380b0e04019e1ba13000715d3c06ed07f57 | YHCNHDIDECZSCA-AGHHOFFYSA-N | HAEKBOJDTPQZDQ-CUYJMHBOSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 0.643453 | 0.321233 | 0.515662 | {
"nontransfer": 0.9028705603039588,
"transfer": 0.09712943969604111
} | ["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... | 0.321233 | 0.622953 | 0.097129 | 0.515662 | 0.097129 | 0.902871 | numeric_record_level_only | 0 | true | 0.577465 | 18 | 2 | 16 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-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": "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,
... | {
"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>CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12</SMILES>
Measured value: 0.707570... | (B) | train | 9e3d09096da785c87d13fed581d6b7d86717868787648d1e3989ada55a10a005 | -1 | null | -1 | null | null | null | bbb_martins | efflux_transport | balanced_bucket_circle | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | bbb_martins:afd867889244cdc2fc9f8f9b18b126a95d7965eec990bfb823c0a3ddd5973b87 | bbb_martins:bd79921bd419a47638ebec255d5991b7ec96258526a5758a889bfab87a203152 | YHCNHDIDECZSCA-AGHHOFFYSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)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 | 0.322219 | 0.70757 | 0.385351 | 0.515662 | {
"nontransfer": 0.9699078448418799,
"transfer": 0.03009215515812019
} | ["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... | 0.385351 | 0.747294 | 0.030092 | 0.515662 | 0.030092 | 0.969908 | numeric_record_level_only | 0 | true | 0.070707 | 1 | 2 | 20 | indirect_record | ["efflux_transport","efflux_ratio","log10(ratio)","__unknown__","ABCB1","bidirectional_transport","mdck-mdr1 bidirectional transport","__unknown__"] | YHCNHDIDECZSCA-AGHHOFFYSA-N | GPKJTRJOBQGKQK-UHFFFAOYSA-N | O=S1(=O)CC(Cc2ccccc2)CC(NCc2ccccc2)C1 | c1ccc2nc3ccccc3cc2c1 | {
"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,
... | {
"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,
... |
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