Panel (Carcinoma cell lines)
Target ID: CHEMBL612423
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| 2-METHOXYESTRADIOL | COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | GI50: 700.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [16*]c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | 6.15 | 30 |  |
| [3*]OC | 6.15 | 30 |  |
| c1ccc2c(c1)CC[C@@H]1[C@@H]2CCC2CCC[C@H]21 | 6.15 | 30 |  |