smiles stringlengths 6 253 ⌀ | ki float64 0 2,570,395,783B | receptor stringlengths 2 90 | source stringclasses 243
values |
|---|---|---|---|
null | 282 | 5-HT2C | Choroid Plexus |
COC1=CC2=C(C=C1)NC=C2CCN | 23.4 | 5-HT2C | Choroid Plexus |
CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1 | 12.6 | 5-HT2C | Choroid Plexus |
C1CN(CCN1)C2=CC=CC3=CC=CC=C32 | 11 | 5-HT1A | HIPPOCAMPUS |
C1CN(CCN1)C2=CC=CC3=CC=CC=C32 | 38.9 | 5-HT1A | CORTEX |
C1CN(CCN1)C2=CC=CC3=CC=CC=C32 | 38.9 | 5-HT1A | CORTEX |
C1CN(CCN1)C2=CC=CC3=CC=CC=C32 | 66.1 | 5-HT1A | CORTEX |
C1CN(CCN1)C2=NC=CC=N2 | 1,410 | 5-HT1A | HIPPOCAMPUS |
C1CN(CCN1)C2=NC=CC=N2 | 1,560 | 5-HT1A | CORTEX |
null | 10,000 | 5-HT1A | HIPPOCAMPUS |
CC1=CC(=C(C=C1)NC(=O)C)C | 10,000 | 5-HT1A | HIPPOCAMPUS |
null | 1,131 | 5-HT1A | HIPPOCAMPUS |
null | 146.06 | 5-HT1A | HIPPOCAMPUS |
CC(C)[N+](=O)[O-] | 2,900 | 5-HT1A | HIPPOCAMPUS |
C1CC2=C3C(=CC=C2)NC=C3C1CN | 369 | 5-HT1A | CORTEX |
null | 350.14 | 5-HT1A | HIPPOCAMPUS |
CC(C(=O)O)OC1=CC=C(C=C1)Cl | 1,965.71 | 5-HT1A | HIPPOCAMPUS |
C1=CC2=C(C(=C1)O)C(=CN2)CCN | 95.5 | 5-HT1A | CORTEX |
C1=C2C(=CC(=C1O)O)NC=C2CCN | 260 | 5-HT1A | CORTEX |
C1=C2C(=CC(=C1O)O)NC=C2CCN | 955 | 5-HT1A | CORTEX |
null | 10,000 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 0.16 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 0.21 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 0.3 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 0.3 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 0.3 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 0.3 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 0.39 | 5-HT1A | HIPPOCAMPUS |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 0.4 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 0.27 | 5-HT1A | CELLS |
C1=CC2=C(C=C1O)C(=CN2)CCN | 1 | 5-HT1A | HIPPOCAMPUS |
C1=CC2=C(C=C1O)C(=CN2)CCN | 1.2 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 1.37 | 5-HT1A | HIPPOCAMPUS |
C1=CC2=C(C=C1O)C(=CN2)CCN | 1.4 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 1.54 | 5-HT1A | HIPPO:LESIONED |
C1=CC2=C(C=C1O)C(=CN2)CCN | 1.65 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 1.68 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 1.7 | 5-HT1A | HIPPOCAMPUS |
C1=CC2=C(C=C1O)C(=CN2)CCN | 1.75 | 5-HT1A | HIPPOCAMPUS |
C1=CC2=C(C=C1O)C(=CN2)CCN | 2 | 5-HT1A | HIPPOCAMPUS |
C1=CC2=C(C=C1O)C(=CN2)CCN | 2.2 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 2.41 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 2.51 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 3.09 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 3.09 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 3.09 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 3.09 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 3.09 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 3.2 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 3.31 | 5-HT1A | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 3.89 | 5-HT1A | HIPPOCAMPUS |
C1=CC2=C(C=C1O)C(=CN2)CCN | 3.89 | 5-HT1A | HIPPOCAMPUS |
C1=CC2=C(C=C1O)C(=CN2)CCN | 4.3 | 5-HT1A | HIPPOCAMPUS |
C1=CC2=C(C=C1O)C(=CN2)CCN | 4.78 | 5-HT1A | HIPPOCAMPUS |
COC1=CC2=C(C=C1)NC=C2CCN | 2.5 | 5-HT1A | CORTEX |
COC1=CC2=C(C=C1)NC=C2CCN | 6.4 | 5-HT1A | HIPPOCAMPUS |
COC1=CC2=C(C=C1)NC=C2CCN | 31.94 | 5-HT1A | HIPPOCAMPUS |
COC1=CC2=C(C=C1)NC=C2CCN | 35.14 | 5-HT1A | CORTEX |
COC1=CC2=C(C=C1)NC=C2CCN | 224 | 5-HT1A | HIPPOCAMPUS |
COC1=CC2=C(C=C1)NC=C2CCN | 227.42 | 5-HT1A | HIPPOCAMPUS |
null | 708 | 5-HT1A | CORTEX |
null | 1,580 | 5-HT1A | CORTEX |
null | 17.06 | 5-HT1A | CORTEX |
null | 12.88 | 5-HT1A | CORTEX |
null | 96 | 5-HT1A | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 0.06 | 5-HT1A | CELLS |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 0.48 | 5-HT1A | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 0.56 | 5-HT1A | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 0.64 | 5-HT1A | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 0.7 | 5-HT1A | HIPPOCAMPUS |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 0.83 | 5-HT1A | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 0.9 | 5-HT1A | HIPPOCAMPUS |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 0.97 | 5-HT1A | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 1 | 5-HT1A | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 1.14 | 5-HT1A | HIPPOCAMPUS |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 1.2 | 5-HT1A | HIPPOCAMPUS |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 1.26 | 5-HT1A | HIPPOCAMPUS |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 1.29 | 5-HT1A | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 1.46 | 5-HT1A | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 1.6 | 5-HT1A | HIPPOCAMPUS |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 1.75 | 5-HT1A | BRAIN |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 1.78 | 5-HT1A | HIPPOCAMPUS |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 1.82 | 5-HT1A | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 1.82 | 5-HT1A | 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 | 25.7 | 5-HT1A | CORTEX |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 2.52 | 5-HT1A | HIPPOCAMPUS |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 3.31 | 5-HT1A | HIPPOCAMPUS |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 5 | 5-HT1A | CORTEX |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 5.68 | 5-HT1A | HIPPOCAMPUS |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 16.64 | 5-HT1A | HIPPOCAMPUS |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 25.1 | 5-HT1A | CORTEX |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 25.1 | 5-HT1A | CORTEX |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 3.86 | 5-HT1A | HIPPOCAMPUS |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 4 | 5-HT1A | CELLS |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 7.6 | 5-HT1A | CORTEX |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 9.1 | 5-HT1A | HIPPOCAMPUS |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 12.94 | 5-HT1A | CORTEX |
CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O | 2.41 | 5-HT1A | CORTEX |
CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O | 6.67 | 5-HT1A | HIPPOCAMPUS |
CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O | 2.29 | 5-HT1A | CORTEX |
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