Assay Detail
Binding
CHEMBL3390302
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Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay
58
Total Activities
45
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Rational design of novel CYP2A6 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 45 | 5.34 | 7.00 |
| Ki | 13 | 6.56 | 8.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1770735 | — | — | 2 | 8.00 |
| CHEMBL3358193 | — | — | 2 | 7.22 |
| CHEMBL3358192 | — | — | 2 | 7.16 |
| CHEMBL3358223 | — | — | 2 | 7.16 |
| CHEMBL3358215 | — | — | 2 | 7.16 |
| CHEMBL3358194 | — | — | 2 | 7.05 |
| CHEMBL3358216 | — | — | 2 | 7.00 |
| CHEMBL3358196 | — | — | 2 | 6.70 |
| CHEMBL3358195 | — | — | 1 | 6.30 |
| CHEMBL3358199 | — | — | 2 | 6.22 |
| CHEMBL3358224 | — | — | 1 | 6.17 |
| CHEMBL3358201 | — | — | 2 | 6.10 |
| CHEMBL3358197 | — | — | 1 | 6.05 |
| CHEMBL3358198 | — | — | 1 | 6.00 |
| CHEMBL3358225 | — | — | 1 | 5.82 |
| CHEMBL3358200 | — | — | 1 | 5.82 |
| CHEMBL3358202 | — | — | 1 | 5.50 |
| CHEMBL3358229 | — | — | 2 | 5.48 |
| CHEMBL3358203 | — | — | 1 | 5.47 |
| CHEMBL3358204 | — | — | 1 | 5.30 |
| CHEMBL3358205 | — | — | 1 | 5.28 |
| CHEMBL3358206 | — | — | 1 | 5.18 |
| CHEMBL325917 | — | — | 1 | 5.13 |
| CHEMBL3358230 | — | — | 1 | 5.13 |
| CHEMBL3358207 | — | — | 1 | 5.10 |
| CHEMBL1386404 | — | — | 1 | 5.09 |
| CHEMBL3358226 | — | — | 1 | 5.08 |
| CHEMBL3358227 | — | — | 2 | 5.07 |
| CHEMBL147741 | 3-FORMYLINDOLE | — | 2 | 4.96 |
| CHEMBL3358208 | — | — | 1 | 4.96 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1770735 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL3358193 | — | Ki | = | 60.0 | nM | 7.22 |
| CHEMBL3358215 | — | Ki | = | 70.0 | nM | 7.16 |
| CHEMBL3358192 | — | Ki | = | 70.0 | nM | 7.16 |
| CHEMBL3358223 | — | Ki | = | 70.0 | nM | 7.16 |
| CHEMBL3358194 | — | Ki | = | 90.0 | nM | 7.05 |
| CHEMBL1770735 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL3358216 | — | Ki | = | 100.0 | nM | 7.00 |
| CHEMBL3358196 | — | Ki | = | 200.0 | nM | 6.70 |
| CHEMBL3358192 | — | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL3358194 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL3358215 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL3358223 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL3358193 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL3358195 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL3358199 | — | Ki | = | 600.0 | nM | 6.22 |
| CHEMBL3358224 | — | IC50 | = | 680.0 | nM | 6.17 |
| CHEMBL3358196 | — | IC50 | = | 700.0 | nM | 6.16 |
| CHEMBL3358201 | — | Ki | = | 800.0 | nM | 6.10 |
| CHEMBL3358197 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL3358198 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL3358199 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL3358200 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL3358225 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL3358216 | — | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL3358201 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL3358202 | — | IC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL3358229 | — | Ki | = | 3300.0 | nM | 5.48 |
| CHEMBL3358203 | — | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL3358204 | — | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL3358205 | — | IC50 | = | 5200.0 | nM | 5.28 |
| CHEMBL3358206 | — | IC50 | = | 6600.0 | nM | 5.18 |
| CHEMBL3358230 | — | IC50 | = | 7400.0 | nM | 5.13 |
| CHEMBL325917 | — | IC50 | = | 7400.0 | nM | 5.13 |
| CHEMBL3358207 | — | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL1386404 | — | IC50 | = | 8100.0 | nM | 5.09 |
| CHEMBL3358226 | — | IC50 | = | 8400.0 | nM | 5.08 |
| CHEMBL3358227 | — | Ki | = | 8600.0 | nM | 5.07 |
| CHEMBL147741 | 3-FORMYLINDOLE | Ki | = | 11000.0 | nM | 4.96 |
| CHEMBL3358208 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL223708 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL3358227 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL3189084 | — | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL3358209 | — | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL3358228 | — | IC50 | = | 34000.0 | nM | 4.47 |
| CHEMBL3358210 | — | IC50 | = | 37000.0 | nM | 4.43 |
| CHEMBL3358211 | — | IC50 | = | 41000.0 | nM | 4.39 |
| CHEMBL3358212 | — | IC50 | = | 51000.0 | nM | 4.29 |
| CHEMBL3358217 | — | IC50 | = | 52000.0 | nM | 4.28 |
| CHEMBL3358229 | — | IC50 | = | 57000.0 | nM | 4.24 |