Estrogen-related receptor beta
Target ID: CHEMBL3751
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| GENISTEIN | O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 | IC50: 1000.0 nM |  |
| DIETHYLSTILBESTROL | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | EC50: 9.0 nM |  |
| 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 |
|---|---|---|---|
| [16*]c1ccc(O)cc1 | 6.89 | 69 |  |
| [16*]c1coc2cc(O)cc(O)c2c1=O | 6.0 | 39 |  |
| O=c1c(-c2ccccc2)coc2ccccc12 | 6.0 | 39 |  |
| [7*]C([8*])CC | 8.05 | 30 |  |
| C(=Cc1ccccc1)c1ccccc1 | 8.05 | 30 |  |