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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