Assay Detail
ADMET
CHEMBL1286935
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Binding affinity to human CYP1A1
3
Total Activities
3
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 3 | 5.08 | 5.65 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1275862 | — | — | 1 | 5.65 |
| CHEMBL1275863 | — | — | 1 | 4.87 |
| CHEMBL112 | ACETAMINOPHEN | 4.0 | 1 | 4.72 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1275862 | — | Kd | = | 2250.0 | nM | 5.65 |
| CHEMBL1275863 | — | Kd | = | 13500.0 | nM | 4.87 |
| CHEMBL112 | ACETAMINOPHEN | Kd | = | 19100.0 | nM | 4.72 |