Assay Detail
Binding
CHEMBL4422401
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Inhibition of human CYP2A6 expressed in insect cell microsomes assessed as reduction in enzyme-mediated coumarin 7-hydroxylation
111
Total Activities
111
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| 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 | 111 | 5.22 | 6.77 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL359657 | — | — | 1 | 6.77 |
| CHEMBL178090 | — | — | 1 | 6.57 |
| CHEMBL360541 | — | — | 1 | 6.29 |
| CHEMBL385008 | — | — | 1 | 6.24 |
| CHEMBL179669 | — | — | 1 | 6.21 |
| CHEMBL360999 | — | — | 1 | 6.13 |
| CHEMBL217125 | — | — | 1 | 6.13 |
| CHEMBL3989843 | TRANYLCYPROMINE | 4.0 | 1 | 6.01 |
| CHEMBL3640760 | — | — | 1 | 6.00 |
| CHEMBL178781 | — | — | 1 | 5.99 |
| CHEMBL368883 | — | — | 1 | 5.99 |
| CHEMBL369285 | — | — | 1 | 5.96 |
| CHEMBL215134 | — | — | 1 | 5.94 |
| CHEMBL214859 | — | — | 1 | 5.92 |
| CHEMBL179621 | — | — | 1 | 5.89 |
| CHEMBL361153 | — | — | 1 | 5.86 |
| CHEMBL178780 | — | — | 1 | 5.86 |
| CHEMBL178534 | — | — | 1 | 5.85 |
| CHEMBL178516 | — | — | 1 | 5.82 |
| CHEMBL178938 | — | — | 1 | 5.80 |
| CHEMBL214990 | — | — | 1 | 5.80 |
| CHEMBL3640761 | — | — | 1 | 5.79 |
| CHEMBL386124 | — | — | 1 | 5.77 |
| CHEMBL4564967 | — | — | 1 | 5.74 |
| CHEMBL179704 | — | — | 1 | 5.73 |
| CHEMBL3640762 | — | — | 1 | 5.73 |
| CHEMBL1522291 | NICOTYRINE | — | 1 | 5.66 |
| CHEMBL4583840 | — | — | 1 | 5.62 |
| CHEMBL361364 | — | — | 1 | 5.50 |
| CHEMBL179477 | — | — | 1 | 5.43 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL359657 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL178090 | — | IC50 | = | 268.0 | nM | 6.57 |
| CHEMBL360541 | — | IC50 | = | 514.0 | nM | 6.29 |
| CHEMBL385008 | — | IC50 | = | 580.0 | nM | 6.24 |
| CHEMBL179669 | — | IC50 | = | 620.0 | nM | 6.21 |
| CHEMBL360999 | — | IC50 | = | 748.0 | nM | 6.13 |
| CHEMBL217125 | — | IC50 | = | 740.0 | nM | 6.13 |
| CHEMBL3989843 | TRANYLCYPROMINE | IC50 | = | 970.0 | nM | 6.01 |
| CHEMBL3640760 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL178781 | — | IC50 | = | 1020.0 | nM | 5.99 |
| CHEMBL368883 | — | IC50 | = | 1020.0 | nM | 5.99 |
| CHEMBL369285 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL215134 | — | IC50 | = | 1160.0 | nM | 5.94 |
| CHEMBL214859 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL179621 | — | IC50 | = | 1290.0 | nM | 5.89 |
| CHEMBL361153 | — | IC50 | = | 1370.0 | nM | 5.86 |
| CHEMBL178780 | — | IC50 | = | 1390.0 | nM | 5.86 |
| CHEMBL178534 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL178516 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL178938 | — | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL214990 | — | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL3640761 | — | IC50 | = | 1630.0 | nM | 5.79 |
| CHEMBL386124 | — | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL4564967 | — | IC50 | = | 1820.0 | nM | 5.74 |
| CHEMBL3640762 | — | IC50 | = | 1850.0 | nM | 5.73 |
| CHEMBL179704 | — | IC50 | = | 1850.0 | nM | 5.73 |
| CHEMBL1522291 | NICOTYRINE | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL4583840 | — | IC50 | = | 2410.0 | nM | 5.62 |
| CHEMBL361364 | — | IC50 | = | 3140.0 | nM | 5.50 |
| CHEMBL179477 | — | IC50 | = | 3740.0 | nM | 5.43 |
| CHEMBL1373373 | — | IC50 | = | 4200.0 | nM | 5.38 |
| CHEMBL178330 | — | IC50 | = | 4200.0 | nM | 5.38 |
| CHEMBL178547 | — | IC50 | = | 4240.0 | nM | 5.37 |
| CHEMBL4483324 | — | IC50 | = | 4670.0 | nM | 5.33 |
| CHEMBL179398 | — | IC50 | = | 4770.0 | nM | 5.32 |
| CHEMBL149808 | — | IC50 | = | 5360.0 | nM | 5.27 |
| CHEMBL3640763 | — | IC50 | = | 5770.0 | nM | 5.24 |
| CHEMBL179005 | — | IC50 | = | 5840.0 | nM | 5.23 |
| CHEMBL4443442 | — | IC50 | = | 5900.0 | nM | 5.23 |
| CHEMBL215183 | — | IC50 | = | 6600.0 | nM | 5.18 |
| CHEMBL179763 | — | IC50 | = | 6600.0 | nM | 5.18 |
| CHEMBL178711 | — | IC50 | = | 7440.0 | nM | 5.13 |
| CHEMBL3640765 | — | IC50 | = | 7650.0 | nM | 5.12 |
| CHEMBL179618 | — | IC50 | = | 7800.0 | nM | 5.11 |
| CHEMBL3640766 | — | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL410355 | — | IC50 | = | 8200.0 | nM | 5.09 |
| CHEMBL362702 | — | IC50 | = | 8610.0 | nM | 5.07 |
| CHEMBL178946 | — | IC50 | = | 8600.0 | nM | 5.07 |
| CHEMBL178196 | — | IC50 | = | 8900.0 | nM | 5.05 |
| CHEMBL3640764 | — | IC50 | = | 9420.0 | nM | 5.03 |