UDP-glucuronosyltransferase 1-8
Target ID: CHEMBL1743318
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| FUROSEMIDE | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl | Ki: 100000.0 nM |  |
| HYDROXYPROGESTERONE | CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | Remaining activity: 89.0 % |  |
| EDARAVONE | CC1=NN(c2ccccc2)C(=O)C1 | PC50: 70.4 uM |  |
| QUERCETIN | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | IC50: 32870.0 nM |  |
| BAZEDOXIFENE | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | IC50: 23.0 nM |  |
| ESTRONE | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | EC50: 1135.0 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 |  |
| ACETAMINOPHEN | CC(=O)Nc1ccc(O)cc1 | Vdss: 0.95 L.kg-1 |  |
| 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 | 8.13 | 97 |  |
| [16*]c1ccc([16*])cc1 | 8.18 | 55 |  |
| [3*]O[3*] | 8.18 | 55 |  |
| [4*]CC[4*] | 8.18 | 55 |  |
| O=c1cc(-c2ccccc2)oc2ccccc12 | 4.48 | 39 |  |