Aldehyde oxidase
Target ID: CHEMBL3257
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 |  |
| TAMOXIFEN | CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 | IC50: 6750.0 nM |  |
| RALOXIFENE | O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 | IC50: 1.8 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 | 7.41 | 96 |  |
| [7*]C([8*])CC | 6.66 | 58 |  |
| [4*]CC[4*] | 6.93 | 55 |  |
| [3*]O[3*] | 6.93 | 55 |  |
| [16*]c1ccc([16*])cc1 | 6.93 | 55 |  |