Assay Detail
Binding
CHEMBL5041175
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Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measured after 20 mins
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Tissue | Liver |
| Subcellular | Microsomes |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Discovery and Characterization of Potent Dual P-Glycoprotein and CYP3A4 Inhibitors: Design, Synthesis, Cryo-EM Analysis, and Biological Evaluations.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 23 | 6.17 | 7.11 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 7.11 |
| CHEMBL5084749 | — | — | 1 | 6.83 |
| CHEMBL5094781 | — | — | 1 | 6.52 |
| CHEMBL5080434 | — | — | 1 | 6.40 |
| CHEMBL5079066 | — | — | 1 | 6.29 |
| CHEMBL5072078 | — | — | 1 | 6.14 |
| CHEMBL5081940 | — | — | 1 | 6.07 |
| CHEMBL5075114 | — | — | 1 | 5.98 |
| CHEMBL5077462 | — | — | 1 | 5.97 |
| CHEMBL5083331 | — | — | 1 | 5.91 |
| CHEMBL5081545 | — | — | 1 | 5.83 |
| CHEMBL5076816 | — | — | 1 | 5.69 |
| CHEMBL5077301 | — | — | 1 | 5.48 |
| CHEMBL5074763 | — | — | 1 | - |
| CHEMBL4594298 | ENCEQUIDAR | 3.0 | 1 | - |
| CHEMBL5090486 | — | — | 1 | - |
| CHEMBL5076722 | — | — | 1 | - |
| CHEMBL5075886 | — | — | 1 | - |
| CHEMBL5074563 | — | — | 1 | - |
| CHEMBL5073106 | — | — | 1 | - |
| CHEMBL5094677 | — | — | 1 | - |
| CHEMBL5074836 | — | — | 1 | - |
| CHEMBL5076237 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 77.0 | nM | 7.11 |
| CHEMBL5084749 | — | IC50 | = | 149.0 | nM | 6.83 |
| CHEMBL5094781 | — | IC50 | = | 305.0 | nM | 6.52 |
| CHEMBL5080434 | — | IC50 | = | 397.0 | nM | 6.40 |
| CHEMBL5079066 | — | IC50 | = | 516.0 | nM | 6.29 |
| CHEMBL5072078 | — | IC50 | = | 726.0 | nM | 6.14 |
| CHEMBL5081940 | — | IC50 | = | 851.0 | nM | 6.07 |
| CHEMBL5075114 | — | IC50 | = | 1054.0 | nM | 5.98 |
| CHEMBL5077462 | — | IC50 | = | 1074.0 | nM | 5.97 |
| CHEMBL5083331 | — | IC50 | = | 1237.0 | nM | 5.91 |
| CHEMBL5081545 | — | IC50 | = | 1469.0 | nM | 5.83 |
| CHEMBL5076816 | — | IC50 | = | 2037.0 | nM | 5.69 |
| CHEMBL5077301 | — | IC50 | = | 3341.0 | nM | 5.48 |
| CHEMBL5074763 | — | IC50 | > | 9000.0 | nM | - |
| CHEMBL4594298 | ENCEQUIDAR | IC50 | > | 9000.0 | nM | - |
| CHEMBL5090486 | — | IC50 | > | 9000.0 | nM | - |
| CHEMBL5076722 | — | IC50 | > | 9000.0 | nM | - |
| CHEMBL5075886 | — | IC50 | > | 9000.0 | nM | - |
| CHEMBL5074563 | — | IC50 | > | 9000.0 | nM | - |
| CHEMBL5073106 | — | IC50 | > | 9000.0 | nM | - |
| CHEMBL5094677 | — | IC50 | > | 9000.0 | nM | - |
| CHEMBL5074836 | — | IC50 | > | 9000.0 | nM | - |
| CHEMBL5076237 | — | IC50 | > | 9000.0 | nM | - |