Assay Detail
Binding
CHEMBL2046255
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Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay
110
Total Activities
110
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Aldo-keto reductase family 1 member C3 (CHEMBL4681) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Development of potent and selective inhibitors of aldo-keto reductase 1C3 (type 5 17β-hydroxysteroid dehydrogenase) based on N-phenyl-aminobenzoates and their structure-activity relationships.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 110 | 6.27 | 7.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1682200 | — | — | 1 | 7.52 |
| CHEMBL2041555 | — | — | 1 | 7.52 |
| CHEMBL2043307 | — | — | 1 | 7.52 |
| CHEMBL2043300 | — | — | 1 | 7.40 |
| CHEMBL2043305 | — | — | 1 | 7.40 |
| CHEMBL2041554 | — | — | 1 | 7.40 |
| CHEMBL2041556 | — | — | 1 | 7.40 |
| CHEMBL2041557 | — | — | 1 | 7.40 |
| CHEMBL23588 | FLUFENAMIC ACID | 2.0 | 1 | 7.30 |
| CHEMBL1682201 | — | — | 1 | 7.30 |
| CHEMBL2043310 | — | — | 1 | 7.22 |
| CHEMBL1682202 | — | — | 1 | 7.22 |
| CHEMBL2043303 | — | — | 1 | 7.16 |
| CHEMBL2043313 | — | — | 1 | 7.10 |
| CHEMBL2040884 | — | — | 1 | 7.10 |
| CHEMBL1596993 | — | — | 1 | 7.05 |
| CHEMBL2043302 | — | — | 1 | 6.89 |
| CHEMBL1682204 | — | — | 1 | 6.89 |
| CHEMBL2043301 | — | — | 1 | 6.85 |
| CHEMBL2040999 | — | — | 1 | 6.85 |
| CHEMBL1682203 | — | — | 1 | 6.85 |
| CHEMBL22815 | — | — | 1 | 6.82 |
| CHEMBL2043321 | — | — | 1 | 6.82 |
| CHEMBL2041154 | — | — | 1 | 6.82 |
| CHEMBL1574420 | — | — | 1 | 6.80 |
| CHEMBL2043314 | — | — | 1 | 6.80 |
| CHEMBL2043320 | — | — | 1 | 6.66 |
| CHEMBL23479 | — | — | 1 | 6.62 |
| CHEMBL2043322 | — | — | 1 | 6.60 |
| CHEMBL2041001 | — | — | 1 | 6.60 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2041555 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL1682200 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL2043307 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL2043300 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL2041554 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL2041556 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL2041557 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL2043305 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL23588 | FLUFENAMIC ACID | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL1682201 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL1682202 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL2043310 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL2043303 | — | IC50 | = | 70.0 | nM | 7.16 |
| CHEMBL2043313 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL2040884 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL1596993 | — | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL2043302 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL1682204 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL2043301 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL1682203 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL2040999 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL2043321 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL2041154 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL22815 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL2043314 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL1574420 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL2043320 | — | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL23479 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL2043322 | — | IC50 | = | 250.0 | nM | 6.60 |
| CHEMBL2041001 | — | IC50 | = | 250.0 | nM | 6.60 |
| CHEMBL2041558 | — | IC50 | = | 250.0 | nM | 6.60 |
| CHEMBL2041006 | — | IC50 | = | 260.0 | nM | 6.58 |
| CHEMBL1682205 | — | IC50 | = | 280.0 | nM | 6.55 |
| CHEMBL2041004 | — | IC50 | = | 280.0 | nM | 6.55 |
| CHEMBL2041158 | — | IC50 | = | 290.0 | nM | 6.54 |
| CHEMBL2041153 | — | IC50 | = | 320.0 | nM | 6.50 |
| CHEMBL2041559 | — | IC50 | = | 360.0 | nM | 6.44 |
| CHEMBL2043304 | — | IC50 | = | 360.0 | nM | 6.44 |
| CHEMBL2041160 | — | IC50 | = | 460.0 | nM | 6.34 |
| CHEMBL2040998 | — | IC50 | = | 470.0 | nM | 6.33 |
| CHEMBL1682206 | — | IC50 | = | 490.0 | nM | 6.31 |
| CHEMBL2043318 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL2043319 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL2041562 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL2041156 | — | IC50 | = | 560.0 | nM | 6.25 |
| CHEMBL2041159 | — | IC50 | = | 560.0 | nM | 6.25 |
| CHEMBL1328677 | — | IC50 | = | 570.0 | nM | 6.24 |
| CHEMBL2043315 | — | IC50 | = | 570.0 | nM | 6.24 |
| CHEMBL2041000 | — | IC50 | = | 600.0 | nM | 6.22 |
| CHEMBL2041002 | — | IC50 | = | 610.0 | nM | 6.21 |