Xanthine dehydrogenase
Target ID: CHEMBL1929
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 |  |
| FERULATE | COc1cc(/C=C/C(=O)O)ccc1O | Inhibition: 12.0 % |  |
| BAICALEIN | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | Inhibition: 57.0 % |  |
| CAFFEIC ACID | O=C(O)/C=C/c1ccc(O)c(O)c1 | IC50: 1200000.0 nM |  |
| QUERCETIN | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | IC50: 32870.0 nM |  |
| DAIDZEIN | O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12 | Suppression: 22.0 % |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| O=c1cc(-c2ccccc2)oc2ccccc12 | 4.48 | 78 |  |
| [16*]c1ccc(O)c(O)c1 | 3.7 | 78 |  |
| [16*]c1ccc(O)cc1 | 6.0 | 68 |  |
| O=c1c(-c2ccccc2)coc2ccccc12 | 6.0 | 68 |  |
| [7*]C[8*] | 2.92 | 51 |  |