3-beta-hydroxysteroid-delta(8),delta(7)-isomerase
Target ID: CHEMBL4931
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| TAMOXIFEN | CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 | IC50: 6750.0 nM |  |
| BUFLOMEDIL | COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 | Ki: 60.0 nM |  |
| BAZEDOXIFENE | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | IC50: 23.0 nM |  |
| RALOXIFENE | O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 | IC50: 1.8 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [4*]CC[4*] | 7.17 | 83 |  |
| [3*]O[3*] | 7.17 | 83 |  |
| [16*]c1ccc([16*])cc1 | 7.17 | 83 |  |
| [16*]c1ccc(O)cc1 | 8.18 | 55 |  |
| [7*]C([8*])CC | 5.17 | 28 |  |