smiles stringlengths 6 253 ⌀ | ki float64 0 2,570,395,783B | receptor stringlengths 2 90 | source stringclasses 243
values |
|---|---|---|---|
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4COC5=CC=CC=C5O4 | 21 | 5-HT1A | CORTEX |
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4COC5=CC=CC=C5O4 | 1.9 | 5-HT1A | CORTEX |
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC | 589 | 5-HT1A | CELLS |
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC | 10,000 | 5-HT1A | HIPPOCAMPUS |
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC | 10,000 | 5-HT1A | CORTEX |
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C | 100 | 5-HT1A | CORTEX |
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C | 741 | 5-HT1A | CORTEX |
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C | 741 | 5-HT1A | CORTEX |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 32.1 | 5-HT1A | CELLS |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 75 | 5-HT1A | CORTEX |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 130 | 5-HT1A | CORTEX |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 148.15 | 5-HT1A | HIPPOCAMPUS |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 173 | 5-HT1A | HIPPOCAMPUS |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 175 | 5-HT1A | HIPPOCAMPUS |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 218.4 | 5-HT1A | HIPPOCAMPUS |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 230 | 5-HT1A | BRAIN |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 288 | 5-HT1A | CORTEX |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 288 | 5-HT1A | CORTEX |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 326.94 | 5-HT1A | HIPPOCAMPUS |
C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F | 737 | 5-HT1A | CELLS |
C1CN(CCN1)C2=CC=CC3=CC=CC=C32 | 155 | 5-HT1B | CORTEX |
C1CN(CCN1)C2=CC=CC3=CC=CC=C32 | 155 | 5-HT1B | CORTEX |
C1CN(CCN1)C2=CC=CC3=CC=CC=C32 | 275 | 5-HT1B | CORTEX |
C1CN(CCN1)C2=NC=CC=N2 | 6,310 | 5-HT1B | CORTEX |
C1=CC2=C(C(=C1)O)C(=CN2)CCN | 1,050 | 5-HT1B | CORTEX |
C1=CC2=C(C(=C1)O)C(=CN2)CCN | 1,050 | 5-HT1B | CORTEX |
C1=C2C(=CC(=C1O)O)NC=C2CCN | 200 | 5-HT1B | CORTEX |
C1=C2C(=CC(=C1O)O)NC=C2CCN | 6,170 | 5-HT1B | CORTEX |
null | 10,000 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 5.13 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 5.13 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 5.13 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 5.13 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 5.13 | 5-HT1B | CORTEX |
null | 10,000 | 5-HT1B | CORTEX |
null | 10,000 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 5.4 | 5-HT1B | STRIATUM |
C1=CC2=C(C=C1O)C(=CN2)CCN | 7.6 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 9 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 23.4 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 23.4 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 23.4 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 23.4 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 24.5 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 24.5 | 5-HT1B | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 32.38 | 5-HT1B | STRIATUM |
CC1=C(C2=C(N1)C=CC(=C2)O)CCN | 10,000 | 5-HT1B | CORTEX |
CC1=C(C2=C(N1)C=CC(=C2)O)CCN | 10,000 | 5-HT1B | CORTEX |
CC1=C(C2=C(N1)C=CC(=C2)O)CCN | 10,000 | 5-HT1B | CORTEX |
CC(CC1=CNC2=C1C=C(C=C2)O)N | 1,000 | 5-HT1B | CORTEX |
CC(CC1=CNC2=C1C=C(C=C2)O)N | 1,000 | 5-HT1B | CORTEX |
null | 3,090 | 5-HT1B | CORTEX |
null | 3,090 | 5-HT1B | CORTEX |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 912 | 5-HT1B | CORTEX |
null | 44.7 | 5-HT1B | CORTEX |
null | 44.7 | 5-HT1B | CORTEX |
COC1=CC2=C(C=C1)NC=C2CCN | 398 | 5-HT1B | CORTEX |
COC1=CC2=C(C=C1)NC=C2CCN | 398 | 5-HT1B | CORTEX |
COC1=CC2=C(C=C1)NC=C2CCN | 398 | 5-HT1B | CORTEX |
COC1=CC2=C(C=C1)NC=C2CCN | 398 | 5-HT1B | CORTEX |
COC1=CC2=C(C=C1)NC=C2CCN | 398 | 5-HT1B | CORTEX |
COC1=CC2=C(C=C1)NC=C2CCN | 15 | 5-HT1B | CORTEX |
null | 676 | 5-HT1B | CORTEX |
null | 676 | 5-HT1B | CORTEX |
null | 5,890 | 5-HT1B | CORTEX |
null | 8,130 | 5-HT1B | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 6,030 | 5-HT1B | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 6,030 | 5-HT1B | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 10,000 | 5-HT1B | STRIATUM |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 10,000 | 5-HT1B | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 10,000 | 5-HT1B | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 10,000 | 5-HT1B | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 10,000 | 5-HT1B | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 10,000 | 5-HT1B | CORTEX |
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S | 1,050 | 5-HT1B | CORTEX |
CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 | 840 | 5-HT1B | CORTEX |
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O | 10,000 | 5-HT1B | CORTEX |
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O | 10,000 | 5-HT1B | CORTEX |
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O | 10,000 | 5-HT1B | CORTEX |
null | 708 | 5-HT1B | CORTEX |
CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O | 112 | 5-HT1B | CORTEX |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 52 | 5-HT1B | CORTEX |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 912 | 5-HT1B | CORTEX |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 912 | 5-HT1B | CORTEX |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 10,000 | 5-HT1B | STRIATUM |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 10,000 | 5-HT1B | CORTEX |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 10,000 | 5-HT1B | CORTEX |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 10,000 | 5-HT1B | CORTEX |
null | 759 | 5-HT1B | CORTEX |
CC(C)NCC(COC1=CC=CC=C1N2C=CC=C2)O.Cl | 35.88 | 5-HT1B | STRIATUM |
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O | 115 | 5-HT1B | CORTEX |
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O | 115 | 5-HT1B | CORTEX |
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl | 1,489 | 5-HT1B | STRIATUM |
CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O | 1.82 | 5-HT1B | CORTEX |
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O | 115 | 5-HT1B | CORTEX |
CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2 | 5,750 | 5-HT1B | CORTEX |
CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2 | 6,200 | 5-HT1B | CORTEX |
CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2 | 10,000 | 5-HT1B | CORTEX |
null | 776 | 5-HT1B | CORTEX |
COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | 10,000 | 5-HT1B | CORTEX |
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