Assay Detail
Binding
CHEMBL960909
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Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) incubated at 23 degC by MTT assay
23
Total Activities
23
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 |
Target
Ribosyldihydronicotinamide dehydrogenase [quinone] (CHEMBL3959) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 23 | 5.11 | 6.02 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL165 | RESVERATROL | 3.0 | 1 | 6.02 |
| CHEMBL289233 | IODOMELATONIN | — | 1 | 5.96 |
| CHEMBL493173 | — | — | 1 | 5.72 |
| CHEMBL490867 | — | — | 1 | 5.39 |
| CHEMBL506858 | — | — | 1 | 5.24 |
| CHEMBL493181 | — | — | 1 | 5.22 |
| CHEMBL492763 | — | — | 1 | 5.21 |
| CHEMBL492382 | — | — | 1 | 5.16 |
| CHEMBL476126 | — | — | 1 | 5.06 |
| CHEMBL453233 | — | — | 1 | 5.03 |
| CHEMBL454226 | — | — | 1 | 5.00 |
| CHEMBL482693 | — | — | 1 | 4.97 |
| CHEMBL449065 | — | — | 1 | 4.97 |
| CHEMBL493174 | — | — | 1 | 4.97 |
| CHEMBL45 | MELATONIN | 4.0 | 1 | 4.95 |
| CHEMBL60376 | — | — | 1 | 4.74 |
| CHEMBL453417 | — | — | 1 | 4.62 |
| CHEMBL503538 | — | — | 1 | 4.53 |
| CHEMBL492762 | CASIMIROIN | — | 1 | 4.27 |
| CHEMBL450666 | — | — | 1 | - |
| CHEMBL424414 | — | — | 1 | - |
| CHEMBL493182 | — | — | 1 | - |
| CHEMBL455593 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL165 | RESVERATROL | IC50 | = | 960.0 | nM | 6.02 |
| CHEMBL289233 | IODOMELATONIN | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL493173 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL490867 | — | IC50 | = | 4100.0 | nM | 5.39 |
| CHEMBL506858 | — | IC50 | = | 5800.0 | nM | 5.24 |
| CHEMBL493181 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL492763 | — | IC50 | = | 6200.0 | nM | 5.21 |
| CHEMBL492382 | — | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL476126 | — | IC50 | = | 8800.0 | nM | 5.06 |
| CHEMBL453233 | — | IC50 | = | 9300.0 | nM | 5.03 |
| CHEMBL454226 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL482693 | — | IC50 | = | 10800.0 | nM | 4.97 |
| CHEMBL449065 | — | IC50 | = | 10800.0 | nM | 4.97 |
| CHEMBL493174 | — | IC50 | = | 10800.0 | nM | 4.97 |
| CHEMBL45 | MELATONIN | IC50 | = | 11300.0 | nM | 4.95 |
| CHEMBL60376 | — | IC50 | = | 18200.0 | nM | 4.74 |
| CHEMBL453417 | — | IC50 | = | 24100.0 | nM | 4.62 |
| CHEMBL503538 | — | IC50 | = | 29300.0 | nM | 4.53 |
| CHEMBL492762 | CASIMIROIN | IC50 | = | 54100.0 | nM | 4.27 |
| CHEMBL450666 | — | IC50 | > | 500000.0 | nM | - |
| CHEMBL424414 | — | IC50 | > | 500000.0 | nM | - |
| CHEMBL493182 | — | IC50 | > | 500000.0 | nM | - |
| CHEMBL455593 | — | IC50 | > | 500000.0 | nM | - |