Assay Detail
Binding
CHEMBL2175576
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Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry
20
Total Activities
20
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
Aldo-keto reductase family 1 member C3 (CHEMBL4681) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Selective inhibitors of aldo-keto reductases AKR1C1 and AKR1C3 discovered by virtual screening of a fragment library.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 20 | 4.38 | 6.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL686 | MEFENAMIC ACID | 4.0 | 1 | 6.52 |
| CHEMBL2172258 | — | — | 1 | 5.70 |
| CHEMBL2172254 | — | — | 1 | 5.40 |
| CHEMBL2172243 | — | — | 1 | 4.92 |
| CHEMBL366350 | — | — | 1 | 4.50 |
| CHEMBL2172242 | — | — | 1 | 4.44 |
| CHEMBL1527416 | — | — | 1 | 4.36 |
| CHEMBL2172252 | — | — | 1 | 4.27 |
| CHEMBL2172249 | — | — | 1 | 4.14 |
| CHEMBL1414132 | — | — | 1 | 4.12 |
| CHEMBL2172240 | — | — | 1 | 4.09 |
| CHEMBL1580175 | — | — | 1 | 4.06 |
| CHEMBL2172250 | — | — | 1 | 3.96 |
| CHEMBL1373742 | — | — | 1 | 3.93 |
| CHEMBL2172259 | — | — | 1 | 3.93 |
| CHEMBL2172251 | — | — | 1 | 3.93 |
| CHEMBL2172247 | — | — | 1 | 3.85 |
| CHEMBL2172248 | — | — | 1 | 3.84 |
| CHEMBL1896308 | — | — | 1 | 3.83 |
| CHEMBL1328030 | — | — | 1 | 3.83 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL686 | MEFENAMIC ACID | Ki | = | 300.0 | nM | 6.52 |
| CHEMBL2172258 | — | Ki | = | 2000.0 | nM | 5.70 |
| CHEMBL2172254 | — | Ki | = | 4000.0 | nM | 5.40 |
| CHEMBL2172243 | — | Ki | = | 12000.0 | nM | 4.92 |
| CHEMBL366350 | — | Ki | = | 32000.0 | nM | 4.50 |
| CHEMBL2172242 | — | Ki | = | 36000.0 | nM | 4.44 |
| CHEMBL1527416 | — | Ki | = | 44000.0 | nM | 4.36 |
| CHEMBL2172252 | — | Ki | = | 54000.0 | nM | 4.27 |
| CHEMBL2172249 | — | Ki | = | 72000.0 | nM | 4.14 |
| CHEMBL1414132 | — | Ki | = | 76000.0 | nM | 4.12 |
| CHEMBL2172240 | — | Ki | = | 82000.0 | nM | 4.09 |
| CHEMBL1580175 | — | Ki | = | 87000.0 | nM | 4.06 |
| CHEMBL2172250 | — | Ki | = | 111000.0 | nM | 3.96 |
| CHEMBL1373742 | — | Ki | = | 118000.0 | nM | 3.93 |
| CHEMBL2172259 | — | Ki | = | 118000.0 | nM | 3.93 |
| CHEMBL2172251 | — | Ki | = | 117000.0 | nM | 3.93 |
| CHEMBL2172247 | — | Ki | = | 142000.0 | nM | 3.85 |
| CHEMBL2172248 | — | Ki | = | 144000.0 | nM | 3.84 |
| CHEMBL1896308 | — | Ki | = | 148000.0 | nM | 3.83 |
| CHEMBL1328030 | — | Ki | = | 148000.0 | nM | 3.83 |