Assay Detail
ADMET
CHEMBL729203
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of 1'-hydroxybufuralol formation by human liver microsomes
6
Total Activities
5
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 | Expert |
Publication
Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 6 | 6.08 | 8.46 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3559672 | RAUWOLFIA SERPENTINA | 4.0 | 1 | 8.46 |
| CHEMBL15245 | YOHIMBINE | 3.0 | 1 | 6.85 |
| CHEMBL428695 | — | — | 1 | 5.55 |
| CHEMBL2079612 | — | — | 2 | 5.46 |
| CHEMBL2079610 | — | — | 1 | 5.02 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3559672 | RAUWOLFIA SERPENTINA | Ki | = | 3.5 | nM | 8.46 |
| CHEMBL15245 | YOHIMBINE | Ki | = | 140.0 | nM | 6.85 |
| CHEMBL428695 | — | Ki | = | 2800.0 | nM | 5.55 |
| CHEMBL2079612 | — | Ki | = | 3500.0 | nM | 5.46 |
| CHEMBL2079612 | — | Ki | = | 7300.0 | nM | 5.14 |
| CHEMBL2079610 | — | Ki | = | 9600.0 | nM | 5.02 |