Assay Detail
ADMET
CHEMBL910039
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Inhibition of human CYP2C9
29
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 29 | 5.07 | 6.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL214784 | — | — | 1 | 6.40 |
| CHEMBL215134 | — | — | 1 | 6.30 |
| CHEMBL214859 | — | — | 1 | 6.05 |
| CHEMBL360541 | — | — | 1 | 5.92 |
| CHEMBL215174 | — | — | 1 | 5.89 |
| CHEMBL386124 | — | — | 1 | 5.54 |
| CHEMBL359657 | — | — | 1 | 5.35 |
| CHEMBL178090 | — | — | 1 | 5.23 |
| CHEMBL149808 | — | — | 1 | 5.20 |
| CHEMBL214990 | — | — | 1 | 4.85 |
| CHEMBL217125 | — | — | 1 | 4.84 |
| CHEMBL178516 | — | — | 1 | 4.68 |
| CHEMBL385008 | — | — | 1 | 4.62 |
| CHEMBL369285 | — | — | 1 | 4.47 |
| CHEMBL178938 | — | — | 1 | 4.42 |
| CHEMBL360999 | — | — | 1 | 4.40 |
| CHEMBL179669 | — | — | 1 | 4.33 |
| CHEMBL361153 | — | — | 1 | 4.32 |
| CHEMBL410355 | — | — | 1 | 4.29 |
| CHEMBL179704 | — | — | 1 | 4.21 |
| CHEMBL179621 | — | — | 1 | - |
| CHEMBL368883 | — | — | 1 | - |
| CHEMBL215183 | — | — | 1 | - |
| CHEMBL218397 | — | — | 1 | - |
| CHEMBL385023 | — | — | 1 | - |
| CHEMBL360998 | — | — | 1 | - |
| CHEMBL361969 | — | — | 1 | - |
| CHEMBL180270 | — | — | 1 | - |
| CHEMBL386250 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL214784 | — | Ki | = | 400.0 | nM | 6.40 |
| CHEMBL215134 | — | Ki | = | 500.0 | nM | 6.30 |
| CHEMBL214859 | — | Ki | = | 900.0 | nM | 6.05 |
| CHEMBL360541 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL215174 | — | Ki | = | 1300.0 | nM | 5.89 |
| CHEMBL386124 | — | Ki | = | 2900.0 | nM | 5.54 |
| CHEMBL359657 | — | Ki | = | 4500.0 | nM | 5.35 |
| CHEMBL178090 | — | Ki | = | 5900.0 | nM | 5.23 |
| CHEMBL149808 | — | Ki | = | 6300.0 | nM | 5.20 |
| CHEMBL214990 | — | Ki | = | 14100.0 | nM | 4.85 |
| CHEMBL217125 | — | Ki | = | 14500.0 | nM | 4.84 |
| CHEMBL178516 | — | Ki | = | 20900.0 | nM | 4.68 |
| CHEMBL385008 | — | Ki | = | 24200.0 | nM | 4.62 |
| CHEMBL369285 | — | Ki | = | 33900.0 | nM | 4.47 |
| CHEMBL178938 | — | Ki | = | 38100.0 | nM | 4.42 |
| CHEMBL360999 | — | Ki | = | 39700.0 | nM | 4.40 |
| CHEMBL179669 | — | Ki | = | 46600.0 | nM | 4.33 |
| CHEMBL361153 | — | Ki | = | 48200.0 | nM | 4.32 |
| CHEMBL410355 | — | Ki | = | 51500.0 | nM | 4.29 |
| CHEMBL179704 | — | Ki | = | 61500.0 | nM | 4.21 |
| CHEMBL179621 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL368883 | — | Ki | > | 300000.0 | nM | - |
| CHEMBL215183 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL218397 | — | Ki | = | 172000.0 | nM | - |
| CHEMBL385023 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL360998 | — | Ki | = | 111000.0 | nM | - |
| CHEMBL361969 | — | Ki | = | 103000.0 | nM | - |
| CHEMBL180270 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL386250 | — | Ki | = | 112000.0 | nM | - |