Assay Detail
ADMET
CHEMBL910038
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human CYP2E1
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 | 5.51 | 7.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL215134 | — | — | 1 | 7.40 |
| CHEMBL214784 | — | — | 1 | 7.30 |
| CHEMBL386124 | — | — | 1 | 6.70 |
| CHEMBL215174 | — | — | 1 | 6.22 |
| CHEMBL214859 | — | — | 1 | 6.10 |
| CHEMBL214990 | — | — | 1 | 6.10 |
| CHEMBL360999 | — | — | 1 | 5.70 |
| CHEMBL179704 | — | — | 1 | 5.51 |
| CHEMBL179669 | — | — | 1 | 5.46 |
| CHEMBL218397 | — | — | 1 | 5.28 |
| CHEMBL410355 | — | — | 1 | 5.02 |
| CHEMBL386250 | — | — | 1 | 5.01 |
| CHEMBL360541 | — | — | 1 | 4.98 |
| CHEMBL178516 | — | — | 1 | 4.89 |
| CHEMBL359657 | — | — | 1 | 4.70 |
| CHEMBL217125 | — | — | 1 | 4.41 |
| CHEMBL368883 | — | — | 1 | 4.26 |
| CHEMBL178090 | — | — | 1 | 4.07 |
| CHEMBL361153 | — | — | 1 | - |
| CHEMBL179621 | — | — | 1 | - |
| CHEMBL215183 | — | — | 1 | - |
| CHEMBL385023 | — | — | 1 | - |
| CHEMBL180270 | — | — | 1 | - |
| CHEMBL149808 | — | — | 1 | - |
| CHEMBL385008 | — | — | 1 | - |
| CHEMBL360998 | — | — | 1 | - |
| CHEMBL178938 | — | — | 1 | - |
| CHEMBL361969 | — | — | 1 | - |
| CHEMBL369285 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL215134 | — | Ki | = | 40.0 | nM | 7.40 |
| CHEMBL214784 | — | Ki | = | 50.0 | nM | 7.30 |
| CHEMBL386124 | — | Ki | = | 200.0 | nM | 6.70 |
| CHEMBL215174 | — | Ki | = | 600.0 | nM | 6.22 |
| CHEMBL214859 | — | Ki | = | 800.0 | nM | 6.10 |
| CHEMBL214990 | — | Ki | = | 800.0 | nM | 6.10 |
| CHEMBL360999 | — | Ki | = | 2000.0 | nM | 5.70 |
| CHEMBL179704 | — | Ki | = | 3100.0 | nM | 5.51 |
| CHEMBL179669 | — | Ki | = | 3500.0 | nM | 5.46 |
| CHEMBL218397 | — | Ki | = | 5200.0 | nM | 5.28 |
| CHEMBL410355 | — | Ki | = | 9600.0 | nM | 5.02 |
| CHEMBL386250 | — | Ki | = | 9700.0 | nM | 5.01 |
| CHEMBL360541 | — | Ki | = | 10500.0 | nM | 4.98 |
| CHEMBL178516 | — | Ki | = | 12800.0 | nM | 4.89 |
| CHEMBL359657 | — | Ki | = | 20100.0 | nM | 4.70 |
| CHEMBL217125 | — | Ki | = | 38900.0 | nM | 4.41 |
| CHEMBL368883 | — | Ki | = | 54500.0 | nM | 4.26 |
| CHEMBL178090 | — | Ki | = | 86000.0 | nM | 4.07 |
| CHEMBL361153 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL179621 | — | Ki | = | 184000.0 | nM | - |
| CHEMBL215183 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL385023 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL180270 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL149808 | — | Ki | = | 117000.0 | nM | - |
| CHEMBL385008 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL360998 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL178938 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL361969 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL369285 | — | Ki | > | 400000.0 | nM | - |