Assay Detail
Binding
CHEMBL5507325
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of recombinant human TEV fused AKR1C3 expressed in Escherichia coli BL21(DE) codon plus RP cells assessed as reduction in substrate oxidation using S-tetralol as substrate in presence of NADP+
17
Total Activities
17
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
Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 17 | 6.76 | 7.36 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4513510 | ASP-9521 | 1.0 | 1 | 7.36 |
| CHEMBL5532410 | — | — | 1 | 7.34 |
| CHEMBL5561463 | — | — | 1 | 7.22 |
| CHEMBL5555217 | — | — | 1 | 7.17 |
| CHEMBL5557454 | — | — | 1 | 7.00 |
| CHEMBL5561484 | — | — | 1 | 6.96 |
| CHEMBL5558400 | — | — | 1 | 6.92 |
| CHEMBL5566714 | — | — | 1 | 6.80 |
| CHEMBL5562651 | — | — | 1 | 6.72 |
| CHEMBL5517678 | — | — | 1 | 6.72 |
| CHEMBL4238437 | — | — | 1 | 6.58 |
| CHEMBL5559780 | — | — | 1 | 6.57 |
| CHEMBL5559881 | — | — | 1 | 6.46 |
| CHEMBL5560443 | — | — | 1 | 6.38 |
| CHEMBL5556734 | — | — | 1 | 6.29 |
| CHEMBL5557319 | — | — | 1 | 6.29 |
| CHEMBL5557212 | — | — | 1 | 6.20 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4513510 | ASP-9521 | IC50 | = | 44.0 | nM | 7.36 |
| CHEMBL5532410 | — | IC50 | = | 46.0 | nM | 7.34 |
| CHEMBL5561463 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL5555217 | — | IC50 | = | 68.0 | nM | 7.17 |
| CHEMBL5557454 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL5561484 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL5558400 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL5566714 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL5562651 | — | IC50 | = | 190.0 | nM | 6.72 |
| CHEMBL5517678 | — | IC50 | = | 190.0 | nM | 6.72 |
| CHEMBL4238437 | — | IC50 | = | 260.0 | nM | 6.58 |
| CHEMBL5559780 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL5559881 | — | IC50 | = | 350.0 | nM | 6.46 |
| CHEMBL5560443 | — | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL5556734 | — | IC50 | = | 510.0 | nM | 6.29 |
| CHEMBL5557319 | — | IC50 | = | 510.0 | nM | 6.29 |
| CHEMBL5557212 | — | IC50 | = | 630.0 | nM | 6.20 |