Assay Detail
Binding
CHEMBL1004505
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Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate
14
Total Activities
7
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
Discovery of a potent and selective inhibitor for human carbonyl reductase 1 from propionate scanning applied to the macrolide zearalenone.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 7 | 5.68 | 6.68 |
| Ki | 7 | 6.46 | 7.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL453375 | — | — | 2 | 7.40 |
| CHEMBL849 | TRICLOSAN | 4.0 | 2 | 7.22 |
| CHEMBL117 | CHRYSIN | — | 2 | 6.96 |
| CHEMBL414883 | RADICICOL | — | 2 | 6.28 |
| CHEMBL97453 | WEDELOLACTONE | — | 2 | 6.22 |
| CHEMBL131921 | BIOCHANIN | — | 2 | 5.69 |
| CHEMBL9352 | NARINGENIN | — | 2 | 5.46 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL453375 | — | Ki | = | 40.0 | nM | 7.40 |
| CHEMBL849 | TRICLOSAN | Ki | = | 60.0 | nM | 7.22 |
| CHEMBL117 | CHRYSIN | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL453375 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL849 | TRICLOSAN | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL414883 | RADICICOL | Ki | = | 520.0 | nM | 6.28 |
| CHEMBL97453 | WEDELOLACTONE | Ki | = | 600.0 | nM | 6.22 |
| CHEMBL117 | CHRYSIN | IC50 | = | 670.0 | nM | 6.17 |
| CHEMBL131921 | BIOCHANIN | Ki | = | 2030.0 | nM | 5.69 |
| CHEMBL414883 | RADICICOL | IC50 | = | 3270.0 | nM | 5.49 |
| CHEMBL9352 | NARINGENIN | Ki | = | 3430.0 | nM | 5.46 |
| CHEMBL97453 | WEDELOLACTONE | IC50 | = | 3780.0 | nM | 5.42 |
| CHEMBL131921 | BIOCHANIN | IC50 | = | 12710.0 | nM | 4.90 |
| CHEMBL9352 | NARINGENIN | IC50 | = | 21480.0 | nM | 4.67 |