Assay Detail
Binding
CHEMBL3887294
Review assay metadata, readout intent, target linkage, and publication context from the same page.
In vitro CYP3A4 Inhibition Assay: Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute to the elimination of ATRA by catalyzing its 4-hydroxylation in the mammalian liver and skin, including that of humans as well as swine. Applicant evaluated the potential RAMBA activity of several azoles using pig liver microsomes, a rich source of CYP activity, comprising many different CYP 450 isoforms. Therefore, this approach, while a reasonable way to assess CYP inhibitors with broad activities may or may not be the best way to discover RAMBAs with selectivity for the skin, which has a much more narrow complement of CYP expression. As understanding in this area has progressed, a more specific CYP inhibition assay can be used to provide better predictivity of activity in human skin. Nevertheless, this assay may still be used as a general predictor of overall CYP activity.
66
Total Activities
64
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Tissue | Liver |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Cosmetic compositions containing substituted azole and methods for alleviating the signs of photoaged skin
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 66 | 5.81 | 7.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1437764 | CLIMBAZOLE | 2.0 | 1 | 7.00 |
| CHEMBL3952468 | — | — | 1 | 6.52 |
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 6.30 |
| CHEMBL277535 | BIFONAZOLE | 3.0 | 1 | 6.10 |
| CHEMBL528463 | — | — | 1 | 6.10 |
| CHEMBL275066 | — | — | 1 | 6.00 |
| CHEMBL14145 | — | — | 1 | 5.82 |
| CHEMBL934 | METYRAPONE | 4.0 | 1 | 5.52 |
| CHEMBL1201131 | PIPERONYL BUTOXIDE | 4.0 | 1 | 5.52 |
| CHEMBL91 | MICONAZOLE | 4.0 | 2 | 5.30 |
| CHEMBL3889591 | — | — | 1 | 5.00 |
| CHEMBL106 | FLUCONAZOLE | 4.0 | 1 | 5.00 |
| CHEMBL151467 | — | — | 1 | - |
| CHEMBL327919 | BENOMYL | — | 1 | - |
| CHEMBL108 | CARBAMAZEPINE | 4.0 | 1 | - |
| CHEMBL623 | NEFAZODONE | 4.0 | 1 | - |
| CHEMBL3937847 | — | — | 1 | - |
| CHEMBL1230264 | — | — | 1 | - |
| CHEMBL559945 | BETA-IONONE | — | 1 | - |
| CHEMBL3933368 | — | — | 1 | - |
| CHEMBL58832 | ASPARAGINE | -1.0 | 1 | - |
| CHEMBL1592087 | — | — | 1 | - |
| CHEMBL1355736 | THEOPHYLLINE | 4.0 | 1 | - |
| CHEMBL303797 | — | — | 1 | - |
| CHEMBL3903881 | — | — | 1 | - |
| CHEMBL3928334 | — | — | 1 | - |
| CHEMBL1467 | ALLOPURINOL | 4.0 | 1 | - |
| CHEMBL1485 | ARGININE | 3.0 | 1 | - |
| CHEMBL228792 | KINETIN | — | 1 | - |
| CHEMBL2272118 | METAZACHLOR | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1437764 | CLIMBAZOLE | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL3952468 | — | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL277535 | BIFONAZOLE | IC50 | = | 800.0 | nM | 6.10 |
| CHEMBL528463 | — | IC50 | = | 800.0 | nM | 6.10 |
| CHEMBL275066 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL14145 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL934 | METYRAPONE | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL1201131 | PIPERONYL BUTOXIDE | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL91 | MICONAZOLE | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL91 | MICONAZOLE | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL3889591 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL106 | FLUCONAZOLE | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL4111819 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1367804 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4108227 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3930201 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1515 | METHIMAZOLE | IC50 | > | 10000.0 | nM | - |
| CHEMBL5 | NALIDIXIC ACID | IC50 | > | 10000.0 | nM | - |
| CHEMBL226345 | ADENINE | IC50 | > | 10000.0 | nM | - |
| CHEMBL201094 | FUBERIDAZOLE | IC50 | > | 10000.0 | nM | - |
| CHEMBL389433 | LIAROZOLE | IC50 | < | 100.0 | nM | - |
| CHEMBL306226 | BENZIMIDAZOLE | IC50 | > | 10000.0 | nM | - |
| CHEMBL3984871 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL25105 | HEXAMIDINE | IC50 | > | 10000.0 | nM | - |
| CHEMBL3913781 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL17962 | HISTIDINE | IC50 | > | 10000.0 | nM | - |
| CHEMBL30 | CIMETIDINE | IC50 | > | 10000.0 | nM | - |
| CHEMBL40583 | 3-METHYLCHOLANTHRENE | IC50 | > | 10000.0 | nM | - |
| CHEMBL261454 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL2251445 | S-METOLACHLOR | IC50 | > | 10000.0 | nM | - |
| CHEMBL1592087 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3968740 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL228792 | KINETIN | IC50 | > | 10000.0 | nM | - |
| CHEMBL2272118 | METAZACHLOR | IC50 | > | 10000.0 | nM | - |
| CHEMBL1485 | ARGININE | IC50 | > | 10000.0 | nM | - |
| CHEMBL1467 | ALLOPURINOL | IC50 | > | 10000.0 | nM | - |
| CHEMBL3928334 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3903881 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL303797 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1355736 | THEOPHYLLINE | IC50 | > | 10000.0 | nM | - |
| CHEMBL151467 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL58832 | ASPARAGINE | IC50 | > | 10000.0 | nM | - |
| CHEMBL3933368 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL559945 | BETA-IONONE | IC50 | > | 10000.0 | nM | - |
| CHEMBL1230264 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3937847 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL623 | NEFAZODONE | IC50 | > | 10000.0 | nM | - |
| CHEMBL108 | CARBAMAZEPINE | IC50 | > | 10000.0 | nM | - |
| CHEMBL327919 | BENOMYL | IC50 | > | 10000.0 | nM | - |