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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