Assay Detail
ADMET
CHEMBL3531466
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Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS method
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Cell Type | HEK293 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Correlation between bilirubin glucuronidation and estradiol-3-gluronidation in the presence of model UDP-glucuronosyltransferase 1A1 substrates/inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 4.92 | 5.77 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL163 | RITONAVIR | 4.0 | 1 | 5.77 |
| CHEMBL298398 | ANTHRAFLAVICACID | — | 1 | 5.40 |
| CHEMBL8260 | BAICALEIN | 2.0 | 1 | 5.36 |
| CHEMBL1624 | LEVOTHYROXINE | 4.0 | 1 | 5.25 |
| CHEMBL723 | CARVEDILOL | 4.0 | 1 | 4.92 |
| CHEMBL63323 | NIFLUMIC ACID | 2.0 | 1 | 4.89 |
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 4.89 |
| CHEMBL25308 | FARNESOL | — | 1 | 4.40 |
| CHEMBL691 | ETHINYL ESTRADIOL | 4.0 | 1 | 4.36 |
| CHEMBL12208 | HYMECROMONE | 2.0 | 1 | 4.00 |
| CHEMBL8145 | DAIDZEIN | 2.0 | 1 | - |
| CHEMBL837 | 7-ETHYL-10-HYDROXYCAMPTOTHECIN | 2.0 | 1 | - |
| CHEMBL122617 | 1-NAPHTHOL | — | 1 | - |
| CHEMBL744 | RILUZOLE | 4.0 | 1 | - |
| CHEMBL254316 | RALTEGRAVIR | 4.0 | 1 | - |
| CHEMBL1908021 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL163 | RITONAVIR | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL298398 | ANTHRAFLAVICACID | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL8260 | BAICALEIN | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL1624 | LEVOTHYROXINE | IC50 | = | 5600.0 | nM | 5.25 |
| CHEMBL723 | CARVEDILOL | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL63323 | NIFLUMIC ACID | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL25308 | FARNESOL | IC50 | = | 40000.0 | nM | 4.40 |
| CHEMBL691 | ETHINYL ESTRADIOL | IC50 | = | 44000.0 | nM | 4.36 |
| CHEMBL12208 | HYMECROMONE | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL8145 | DAIDZEIN | IC50 | = | 120000.0 | nM | - |
| CHEMBL837 | 7-ETHYL-10-HYDROXYCAMPTOTHECIN | IC50 | - | — | - | |
| CHEMBL122617 | 1-NAPHTHOL | IC50 | = | 280000.0 | nM | - |
| CHEMBL744 | RILUZOLE | IC50 | = | 160000.0 | nM | - |
| CHEMBL254316 | RALTEGRAVIR | IC50 | = | 190000.0 | nM | - |
| CHEMBL1908021 | — | IC50 | = | 110000.0 | nM | - |