LNCaP C4-2B
Target ID: CHEMBL4296461
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ETHACRYNIC ACID | C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl | mequiv of Na+/kg: 4.14 0-5h |  |
| ESTRADIOL | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | IC50: 1.5 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | 8.82 | 29 |  |
| c1ccc2c(c1)CC[C@@H]1[C@@H]2CCC2CCC[C@H]21 | 8.82 | 29 |  |
| [6*]C(=O)C(=C)CC | None | 20 |  |
| c1ccccc1 | None | 20 |  |
| [16*]c1ccc([16*])c(Cl)c1Cl | None | 20 |  |