smiles stringlengths 6 253 ⌀ | ki float64 0 2,570,395,783B | receptor stringlengths 2 90 | source stringclasses 243 values |
|---|---|---|---|
COC1=CC2=C(C=C1)NC=C2CCN | 23.4 | 5-HT2C | Choroid Plexus |
COC1=CC2=C(C=C1)NC=C2CCN | 23.4 | 5-HT2C | Choroid Plexus |
COC1=CC2=C(C=C1)NC=C2CCN | 25.1 | 5-HT2C | Choroid Plexus |
COC1=CC2=C(C=C1)NC=C2CCN | 43.7 | 5-HT2C | Choroid Plexus |
COC1=CC2=C(C=C1)NC=C2CCN | 43.8 | 5-HT2C | Choroid Plexus |
CN(C)CCC1=CNC2=C1C=C(C=C2)OC | 100 | 5-HT2C | Choroid Plexus |
COC1=CC2=C(C=C1)NC=C2CCN | 7.9 | 5-HT2C | Choroid Plexus |
null | 70.8 | 5-HT2C | Choroid Plexus |
null | 79.4 | 5-HT2C | Choroid Plexus |
null | 5,500 | 5-HT2C | Choroid Plexus |
null | 7,410 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 5,000 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 5,000 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 5,000 | 5-HT2C | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 5,500 | 5-HT2C | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 5,750 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 5,750 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 5,750 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 5,750 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 5,750 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 5,750 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 6,310 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 7,240 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 7,590 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 8,710 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 10,000 | 5-HT2C | CORTEX |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 10,000 | 5-HT2C | Choroid Plexus |
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O | 10,000 | 5-HT2C | Choroid Plexus |
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S | 117 | 5-HT2C | Choroid Plexus |
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S | 126 | 5-HT2C | Choroid Plexus |
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O | 10,000 | 5-HT2C | Choroid Plexus |
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O | 10,000 | 5-HT2C | Choroid Plexus |
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O | 10,000 | 5-HT2C | Choroid Plexus |
null | 51.3 | 5-HT2C | Choroid Plexus |
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 | 200 | 5-HT2C | Choroid Plexus |
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 | 209 | 5-HT2C | Choroid Plexus |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 63.1 | 5-HT2C | Choroid Plexus |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 70.8 | 5-HT2C | Choroid Plexus |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 70.8 | 5-HT2C | Choroid Plexus |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 70.8 | 5-HT2C | Choroid Plexus |
CN(C)CCC1=CNC2=C1C=C(C=C2)O | 70.8 | 5-HT2C | Choroid Plexus |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 1,160 | 5-HT2C | CORTEX |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 2,940 | 5-HT2C | Choroid Plexus |
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 | 7,940 | 5-HT2C | Choroid Plexus |
null | 10,000 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 4.68 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 7.1 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 9.5 | 5-HT2C | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 15.8 | 5-HT2C | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 20 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 25 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 30.2 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 31.6 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 33.1 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 33.1 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 33.1 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 33.1 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 33.1 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 33.1 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 33.1 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 33.1 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 33.1 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 40 | 5-HT2C | CORTEX |
C1=CC2=C(C=C1O)C(=CN2)CCN | 81.3 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 115 | 5-HT2C | C. PLEXUS TUM |
C1CN(CCN1)C2=CC=CC3=CC=CC=C32 | 5.25 | 5-HT2C | Choroid Plexus |
C1CN(CCN1)C2=CC=CC3=CC=CC=C32 | 5.25 | 5-HT2C | Choroid Plexus |
C1CN(CCN1)C2=CC=CC3=CC=CC=C32 | 5.75 | 5-HT2C | Choroid Plexus |
C1CN(CCN1)C2=CC=CC3=CC=CC=C32 | 6.31 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C(=C1)O)C(=CN2)CCN | 40.7 | 5-HT2C | Choroid Plexus |
C1=C2C(=CC(=C1O)O)NC=C2CCN | 708 | 5-HT2C | Choroid Plexus |
null | 10,000 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 589 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 589 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 589 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 589 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 589 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 589 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 617 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 631 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 631 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 3,630 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN | 4,270 | 5-HT2C | Choroid Plexus |
null | 10,000 | 5-HT2C | Choroid Plexus |
null | 10,000 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 165 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 166 | 5-HT2C | Choroid Plexus |
C1=CC2=C(C=C1O)C(=CN2)CCN | 318 | 5-HT2C | Choroid Plexus |
null | 4.47 | 5-HT2C | Choroid Plexus |
null | 4.47 | 5-HT2C | Choroid Plexus |
null | 398 | 5-HT2C | Choroid Plexus |
CC1=C(C2=C(N1)C=CC(=C2)O)CCN | 1,260 | 5-HT2C | Choroid Plexus |
CC1=C(C2=C(N1)C=CC(=C2)O)CCN | 1,450 | 5-HT2C | Choroid Plexus |
CC1=C(C2=C(N1)C=CC(=C2)O)CCN | 1,460 | 5-HT2C | Choroid Plexus |
CC(CC1=CNC2=C1C=C(C=C2)O)N | 58.9 | 5-HT2C | Choroid Plexus |
CC(CC1=CNC2=C1C=C(C=C2)O)N | 58.9 | 5-HT2C | Choroid Plexus |
CC(CC1=CNC2=C1C=C(C=C2)O)N | 58.9 | 5-HT2C | Choroid Plexus |
CC(CC1=CNC2=C1C=C(C=C2)O)N | 58.9 | 5-HT2C | Choroid Plexus |
null | 490 | 5-HT2C | Choroid Plexus |
null | 490 | 5-HT2C | Choroid Plexus |
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