smiles stringlengths 6 253 ⌀ | ki float64 0 2,570,395,783B | receptor stringlengths 2 90 | source stringclasses 243
values |
|---|---|---|---|
null | 3,949 | 5-HT1A | CLONED |
null | 75 | 5-HT2A | CLONED |
null | 6,267 | 5-HT6 | CLONED |
null | 43 | 5-HT7 | CLONED |
null | 14,160 | 5-HT1A | CLONED |
null | 59 | 5-HT2A | CLONED |
null | 4,744 | 5-HT6 | CLONED |
null | 21 | 5-HT7 | CLONED |
null | 13,790 | 5-HT1A | CLONED |
null | 343 | 5-HT2A | CLONED |
null | 1,693 | 5-HT6 | CLONED |
null | 121 | 5-HT7 | CLONED |
null | 48,240 | 5-HT1A | CLONED |
null | 17,330 | 5-HT2A | CLONED |
null | 7,746 | 5-HT6 | CLONED |
null | 529 | 5-HT7 | CLONED |
null | 23 | H3 | CEREBRAL CORTEX |
null | 189 | H1 | CEREBELLUM |
null | 32 | H3 | CEREBRAL CORTEX |
null | 279 | H1 | CEREBELLUM |
null | 6.5 | H3 | CEREBRAL CORTEX |
null | 1,027 | H1 | CEREBELLUM |
null | 26 | H3 | CEREBRAL CORTEX |
null | 68 | H1 | CEREBELLUM |
null | 39 | H3 | CEREBRAL CORTEX |
null | 169 | H1 | CEREBELLUM |
null | 1,098 | H3 | CEREBRAL CORTEX |
null | 706 | H3 | CEREBRAL CORTEX |
null | 542 | H3 | CEREBRAL CORTEX |
null | 176 | H3 | CEREBRAL CORTEX |
null | 165 | H3 | CEREBRAL CORTEX |
null | 112 | H3 | CEREBRAL CORTEX |
null | 35 | H3 | CEREBRAL CORTEX |
null | 908 | H1 | CEREBELLUM |
null | 1,208 | H1 | CEREBRAL CORTEX |
null | 856 | H3 | CEREBRAL CORTEX |
null | 2,000 | H3 | CEREBRAL CORTEX |
null | 252 | H3 | CEREBRAL CORTEX |
null | 3.6 | H3 | CEREBRAL CORTEX |
null | 11 | alpha-1 | CORTEX |
null | 97 | D2 | CLONED |
null | 15 | 5-HT7 | CLONED |
null | 527 | 5-HT2A | CLONED |
null | 2 | 5-HT1A | CLONED |
null | 3,168 | 5-HT1A | CLONED |
null | 2,117 | alpha-1 | CORTEX |
null | 4,963 | D2 | CLONED |
null | 3,027 | 5-HT7 | CLONED |
null | 772 | 5-HT2A | CLONED |
null | 146 | 5-HT1A | CLONED |
null | 93 | alpha-1 | CORTEX |
null | 90 | 5-HT7 | CLONED |
null | 76 | 5-HT2A | CLONED |
null | 20 | 5-HT1A | CLONED |
null | 36 | alpha-1 | CORTEX |
null | 1,206 | D2 | CLONED |
null | 388 | 5-HT7 | CLONED |
null | 200 | 5-HT6 | CLONED |
null | 220 | 5-HT2A | CLONED |
null | 3,142 | 5-HT7 | CLONED |
null | 14 | alpha-1 | CORTEX |
null | 162 | D2 | CLONED |
null | 89 | 5-HT7 | CLONED |
null | 1,540 | 5-HT6 | CLONED |
null | 159 | 5-HT2A | CLONED |
null | 32 | 5-HT1A | CLONED |
null | 15 | alpha-1 | CORTEX |
null | 189 | D2 | CLONED |
null | 70 | 5-HT7 | CLONED |
null | 2,427 | 5-HT6 | CLONED |
null | 245 | 5-HT2A | CLONED |
null | 5 | 5-HT1A | CLONED |
null | 3,160 | 5-HT7 | CLONED |
null | 498 | 5-HT2A | CLONED |
null | 772 | alpha-1 | CORTEX |
null | 1,050 | 5-HT7 | CLONED |
null | 2,155 | 5-HT6 | CLONED |
null | 2,805 | 5-HT2A | CLONED |
null | 552 | 5-HT1A | CLONED |
null | 299 | D2 | CLONED |
CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC | 1.7 | 5-HT7 | CLONED |
CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC | 0.9 | 5-HT6 | CLONED |
CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC | 4 | 5-HT1A | CLONED |
CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O.CS(=O)(=O)O | 12 | alpha-1 | CORTEX |
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F | 5.9 | D2 | CLONED |
CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42 | 3.2 | 5-HT2A | CLONED |
null | 114 | D2 | CLONED |
null | 47 | 5-HT1A | CLONED |
null | 652 | 5-HT2A | CLONED |
null | 1,699 | 5-HT6 | CLONED |
null | 366 | 5-HT7 | CLONED |
null | 180 | D2 | CLONED |
null | 291 | 5-HT1A | CLONED |
null | 1,927 | 5-HT2A | CLONED |
null | 3,666 | 5-HT6 | CLONED |
null | 3,743 | 5-HT7 | CLONED |
null | 11 | D2 | CLONED |
null | 22 | 5-HT1A | CLONED |
null | 717 | 5-HT2A | CLONED |
null | 1,916 | 5-HT6 | CLONED |
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