Assay Detail
ADMET
CHEMBL4422414
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Inhibition of human CYP2D6 assessed as reduction in specific vivid-blue substrate O-dealkylation by modified PanVera vivid assay protocol based method
43
Total Activities
43
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
Synthetic compounds and derivatives as modulators of smoking or nicotine ingestion and lung cancer
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 43 | 4.53 | 5.89 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL214784 | — | — | 1 | 5.89 |
| CHEMBL178090 | — | — | 1 | 4.95 |
| CHEMBL178711 | — | — | 1 | 4.89 |
| CHEMBL3640762 | — | — | 1 | 4.84 |
| CHEMBL361969 | — | — | 1 | 4.54 |
| CHEMBL178780 | — | — | 1 | 4.44 |
| CHEMBL178708 | — | — | 1 | 4.12 |
| CHEMBL386124 | — | — | 1 | 4.04 |
| CHEMBL178938 | — | — | 1 | 4.04 |
| CHEMBL179669 | — | — | 1 | 4.02 |
| CHEMBL178516 | — | — | 1 | 4.01 |
| CHEMBL368883 | — | — | 1 | - |
| CHEMBL361153 | — | — | 1 | - |
| CHEMBL179621 | — | — | 1 | - |
| CHEMBL360999 | — | — | 1 | - |
| CHEMBL179005 | — | — | 1 | - |
| CHEMBL4466954 | — | — | 1 | - |
| CHEMBL178330 | — | — | 1 | - |
| CHEMBL425519 | — | — | 1 | - |
| CHEMBL178547 | — | — | 1 | - |
| CHEMBL362702 | — | — | 1 | - |
| CHEMBL179618 | — | — | 1 | - |
| CHEMBL215134 | — | — | 1 | - |
| CHEMBL179398 | — | — | 1 | - |
| CHEMBL385023 | — | — | 1 | - |
| CHEMBL385008 | — | — | 1 | - |
| CHEMBL217125 | — | — | 1 | - |
| CHEMBL178534 | — | — | 1 | - |
| CHEMBL179763 | — | — | 1 | - |
| CHEMBL361364 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL214784 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL178090 | — | IC50 | = | 11300.0 | nM | 4.95 |
| CHEMBL178711 | — | IC50 | = | 12900.0 | nM | 4.89 |
| CHEMBL3640762 | — | IC50 | = | 14400.0 | nM | 4.84 |
| CHEMBL361969 | — | IC50 | = | 28700.0 | nM | 4.54 |
| CHEMBL178780 | — | IC50 | = | 36300.0 | nM | 4.44 |
| CHEMBL178708 | — | IC50 | = | 76700.0 | nM | 4.12 |
| CHEMBL386124 | — | IC50 | = | 90800.0 | nM | 4.04 |
| CHEMBL178938 | — | IC50 | = | 90600.0 | nM | 4.04 |
| CHEMBL179669 | — | IC50 | = | 95900.0 | nM | 4.02 |
| CHEMBL178516 | — | IC50 | = | 98000.0 | nM | 4.01 |
| CHEMBL179621 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL410355 | — | IC50 | - | — | - | |
| CHEMBL361153 | — | IC50 | = | 248000.0 | nM | - |
| CHEMBL368883 | — | IC50 | = | 277000.0 | nM | - |
| CHEMBL179704 | — | IC50 | = | 193000.0 | nM | - |
| CHEMBL359657 | — | IC50 | = | 168000.0 | nM | - |
| CHEMBL149808 | — | IC50 | - | — | - | |
| CHEMBL360541 | — | IC50 | - | — | - | |
| CHEMBL360998 | — | IC50 | = | 253000.0 | nM | - |
| CHEMBL218397 | — | IC50 | - | — | - | |
| CHEMBL180270 | — | IC50 | - | — | - | |
| CHEMBL214990 | — | IC50 | = | 129000.0 | nM | - |
| CHEMBL214859 | — | IC50 | - | — | - | |
| CHEMBL369285 | — | IC50 | = | 113000.0 | nM | - |
| CHEMBL215183 | — | IC50 | - | — | - | |
| CHEMBL386250 | — | IC50 | - | — | - | |
| CHEMBL360999 | — | IC50 | = | 204000.0 | nM | - |
| CHEMBL179005 | — | IC50 | = | 199000.0 | nM | - |
| CHEMBL4466954 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL178330 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL425519 | — | IC50 | = | 296000.0 | nM | - |
| CHEMBL178547 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL362702 | — | IC50 | = | 387000.0 | nM | - |
| CHEMBL179618 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL215134 | — | IC50 | - | — | - | |
| CHEMBL179398 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL385023 | — | IC50 | - | — | - | |
| CHEMBL385008 | — | IC50 | - | — | - | |
| CHEMBL217125 | — | IC50 | - | — | - | |
| CHEMBL178534 | — | IC50 | = | 191000.0 | nM | - |
| CHEMBL179763 | — | IC50 | > | 300000.0 | nM | - |
| CHEMBL361364 | — | IC50 | = | 344000.0 | nM | - |