Assay Detail
Binding
CHEMBL3887280
Review assay metadata, readout intent, target linkage, and publication context from the same page.
null: A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. CYP3A4A is thought to be one of the primary CYP isoforms responsible for retinoic acid metabolism in the skin. Three benchmark agents, liarozole, climbazole, and ketoconazole, were assessed for CYP3A4 inhibition to confirm that the inhibition activity (the IC50 for CYP3A4 inhibition) measured by the assay corresponds to the activity reported by the published literature. The results show that the substituted azole compounds having the specific structure set forth herein are CYP inhibitors, and thus function as RAMBAs.
66
Total Activities
65
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Cosmetic compositions containing substituted azole and methods for improving the appearance of aging 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 |
| CHEMBL104 | CLOTRIMAZOLE | 4.0 | 1 | 6.52 |
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 6.30 |
| CHEMBL3961189 | — | — | 1 | 6.10 |
| CHEMBL528463 | — | — | 1 | 6.10 |
| CHEMBL275066 | — | — | 1 | 6.00 |
| CHEMBL14145 | — | — | 1 | 5.82 |
| CHEMBL1201131 | PIPERONYL BUTOXIDE | 4.0 | 1 | 5.52 |
| CHEMBL934 | METYRAPONE | 4.0 | 1 | 5.52 |
| CHEMBL91 | MICONAZOLE | 4.0 | 2 | 5.30 |
| CHEMBL106 | FLUCONAZOLE | 4.0 | 1 | 5.00 |
| CHEMBL3889591 | — | — | 1 | 5.00 |
| CHEMBL327919 | BENOMYL | — | 1 | - |
| CHEMBL108 | CARBAMAZEPINE | 4.0 | 1 | - |
| CHEMBL623 | NEFAZODONE | 4.0 | 1 | - |
| CHEMBL3184688 | — | — | 1 | - |
| CHEMBL228792 | KINETIN | — | 1 | - |
| CHEMBL2272118 | METAZACHLOR | — | 1 | - |
| CHEMBL1485 | ARGININE | 3.0 | 1 | - |
| CHEMBL1467 | ALLOPURINOL | 4.0 | 1 | - |
| CHEMBL3928334 | — | — | 1 | - |
| CHEMBL3903881 | — | — | 1 | - |
| CHEMBL303797 | — | — | 1 | - |
| CHEMBL1355736 | THEOPHYLLINE | 4.0 | 1 | - |
| CHEMBL1592087 | — | — | 1 | - |
| CHEMBL58832 | ASPARAGINE | -1.0 | 1 | - |
| CHEMBL3933368 | — | — | 1 | - |
| CHEMBL559945 | BETA-IONONE | — | 1 | - |
| CHEMBL3913946 | — | — | 1 | - |
| CHEMBL1230264 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1437764 | CLIMBAZOLE | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL104 | CLOTRIMAZOLE | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL3961189 | — | 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 | - |
| CHEMBL160 | CYCLOSPORINE | IC50 | > | 10000.0 | nM | - |
| CHEMBL3923392 | — | 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 | - |
| CHEMBL3963505 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1592087 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3913946 | — | 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 | - |
| CHEMBL3184688 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL623 | NEFAZODONE | IC50 | > | 10000.0 | nM | - |
| CHEMBL108 | CARBAMAZEPINE | IC50 | > | 10000.0 | nM | - |
| CHEMBL327919 | BENOMYL | IC50 | > | 10000.0 | nM | - |