Aldehyde dehydrogenase
Target ID: CHEMBL1935
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 |  |
| THEOPHYLLINE | Cn1c(=O)c2[nH]cnc2n(C)c1=O | ED50: 18.5 mg.kg-1 |  |
| CAFFEINE | Cn1c(=O)c2c(ncn2C)n(C)c1=O | Vdss: 0.61 L.kg-1 |  |
| DAIDZEIN | O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12 | Suppression: 22.0 % |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [16*]c1ccc(O)cc1 | 6.0 | 68 |  |
| O=c1c(-c2ccccc2)coc2ccccc12 | 6.0 | 68 |  |
| O=c1[nH]c(=O)c2[nH]cnc2[nH]1 | None | 44 |  |
| [16*]c1coc2cc(O)cc(O)c2c1=O | 6.0 | 39 |  |
| Cn1c(=O)c2[nH]cnc2n(C)c1=O | None | 39 |  |