Assay Detail
ADMET
CHEMBL5657595
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Inhibition of CYP2C9 in human pooled liver microsomes using diclofenac as substrate measured after 10 to 20 mins by LC-MS/MS analysis
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Tissue | Liver |
| Subcellular | Microsome |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 19 | 5.30 | 6.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5661905 | — | — | 1 | 6.30 |
| CHEMBL5661893 | — | — | 1 | 6.22 |
| CHEMBL1738716 | — | — | 1 | 5.70 |
| CHEMBL5661903 | — | — | 1 | 5.70 |
| CHEMBL5661864 | — | — | 1 | 5.30 |
| CHEMBL5661879 | — | — | 1 | 5.16 |
| CHEMBL5661854 | — | — | 1 | 5.10 |
| CHEMBL3617968 | BAY-678 | — | 1 | 4.92 |
| CHEMBL5661856 | — | — | 1 | 4.75 |
| CHEMBL5661871 | — | — | 1 | 4.64 |
| CHEMBL3617969 | — | — | 1 | 4.51 |
| CHEMBL5661868 | — | — | 1 | - |
| CHEMBL5661863 | — | — | 1 | - |
| CHEMBL5661882 | — | — | 1 | - |
| CHEMBL5661928 | — | — | 1 | - |
| CHEMBL5661860 | — | — | 1 | - |
| CHEMBL3617972 | — | — | 1 | - |
| CHEMBL3617973 | — | — | 1 | - |
| CHEMBL5661855 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5661905 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL5661893 | — | IC50 | = | 600.0 | nM | 6.22 |
| CHEMBL1738716 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL5661903 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL5661864 | — | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL5661879 | — | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL5661854 | — | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL3617968 | BAY-678 | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL5661856 | — | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL5661871 | — | IC50 | = | 23000.0 | nM | 4.64 |
| CHEMBL3617969 | — | IC50 | = | 31000.0 | nM | 4.51 |
| CHEMBL5661868 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL5661863 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL5661882 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL5661928 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL5661860 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL3617972 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL3617973 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL5661855 | — | IC50 | > | 50000.0 | nM | - |