MCF7:TAM1
Target ID: CHEMBL4630717
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| TAMOXIFEN | CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 | IC50: 6750.0 nM |  |
| FULVESTRANT | C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O | IC50: 0.49 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [15*][C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 | 9.31 | 29 |  |
| c1ccc2c(c1)CC[C@@H]1[C@@H]2CCC2CCC[C@H]21 | 9.31 | 29 |  |
| [8*]CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F | 9.31 | 29 |  |
| [4*]CC[4*] | 5.17 | 28 |  |
| [3*]O[3*] | 5.17 | 28 |  |