Assay Detail
ADMET
CHEMBL4190137
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of C-terminal His-tagged recombinant human CYP21A2deltaH mutant expressed in Escherichia coli DH5alpha assessed as decrease in progesterone hydroxylation preincubated for 3 mins followed by NADPH addition measured after 10 mins in presence of cytochrome p450 reductase by LC-MS/MS method
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Intermediate |
Publication
Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 11 | 6.92 | 9.15 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL132778 | — | — | 1 | 9.15 |
| CHEMBL4209941 | — | — | 1 | 7.62 |
| CHEMBL254328 | ABIRATERONE | 3.0 | 1 | 7.49 |
| CHEMBL4210737 | — | — | 1 | 7.38 |
| CHEMBL2105738 | GALETERONE | 3.0 | 1 | 7.11 |
| CHEMBL4213452 | — | — | 1 | 6.63 |
| CHEMBL4209916 | — | — | 1 | 6.36 |
| CHEMBL4210141 | — | — | 1 | 6.17 |
| CHEMBL4214976 | — | — | 1 | 5.86 |
| CHEMBL4210952 | — | — | 1 | 5.44 |
| CHEMBL4203137 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL132778 | — | IC50 | = | 0.7 | nM | 9.15 |
| CHEMBL4209941 | — | IC50 | = | 23.9 | nM | 7.62 |
| CHEMBL254328 | ABIRATERONE | IC50 | = | 32.4 | nM | 7.49 |
| CHEMBL4210737 | — | IC50 | = | 42.1 | nM | 7.38 |
| CHEMBL2105738 | GALETERONE | IC50 | = | 77.2 | nM | 7.11 |
| CHEMBL4213452 | — | IC50 | = | 234.0 | nM | 6.63 |
| CHEMBL4209916 | — | IC50 | = | 440.0 | nM | 6.36 |
| CHEMBL4210141 | — | IC50 | = | 673.0 | nM | 6.17 |
| CHEMBL4214976 | — | IC50 | = | 1390.0 | nM | 5.86 |
| CHEMBL4210952 | — | IC50 | = | 3605.0 | nM | 5.44 |
| CHEMBL4203137 | — | IC50 | >= | 700.0 | nM | - |