Assay Detail
Binding
CHEMBL2174992
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis
84
Total Activities
84
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
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: highly potent and selective inhibitors of the type 5 17-β-hydroxysteroid dehydrogenase AKR1C3.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 84 | 7.00 | 8.21 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2172122 | — | — | 1 | 8.21 |
| CHEMBL2172110 | — | — | 1 | 8.07 |
| CHEMBL2172121 | — | — | 1 | 8.06 |
| CHEMBL2172112 | — | — | 1 | 8.05 |
| CHEMBL2172067 | — | — | 1 | 8.02 |
| CHEMBL2172113 | — | — | 1 | 7.96 |
| CHEMBL2172114 | — | — | 1 | 7.96 |
| CHEMBL2172087 | — | — | 1 | 7.92 |
| CHEMBL2172220 | — | — | 1 | 7.89 |
| CHEMBL1566492 | — | — | 1 | 7.89 |
| CHEMBL2172115 | — | — | 1 | 7.85 |
| CHEMBL2172088 | — | — | 1 | 7.85 |
| CHEMBL2172116 | — | — | 1 | 7.80 |
| CHEMBL2172117 | — | — | 1 | 7.80 |
| CHEMBL2172118 | — | — | 1 | 7.77 |
| CHEMBL2172084 | — | — | 1 | 7.77 |
| CHEMBL2172091 | — | — | 1 | 7.72 |
| CHEMBL2172086 | — | — | 1 | 7.70 |
| CHEMBL2172085 | — | — | 1 | 7.68 |
| CHEMBL2172119 | — | — | 1 | 7.66 |
| CHEMBL2172224 | — | — | 1 | 7.60 |
| CHEMBL2172124 | — | — | 1 | 7.57 |
| CHEMBL2172109 | — | — | 1 | 7.57 |
| CHEMBL2172090 | — | — | 1 | 7.54 |
| CHEMBL2172120 | — | — | 1 | 7.54 |
| CHEMBL2172078 | — | — | 1 | 7.50 |
| CHEMBL2172089 | — | — | 1 | 7.47 |
| CHEMBL2172125 | — | — | 1 | 7.42 |
| CHEMBL2172123 | — | — | 1 | 7.41 |
| CHEMBL2172093 | — | — | 1 | 7.38 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2172122 | — | IC50 | = | 6.1 | nM | 8.21 |
| CHEMBL2172110 | — | IC50 | = | 8.6 | nM | 8.07 |
| CHEMBL2172121 | — | IC50 | = | 8.7 | nM | 8.06 |
| CHEMBL2172112 | — | IC50 | = | 8.9 | nM | 8.05 |
| CHEMBL2172067 | — | IC50 | = | 9.5 | nM | 8.02 |
| CHEMBL2172113 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL2172114 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL2172087 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL2172220 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL1566492 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL2172115 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL2172088 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL2172116 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL2172117 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL2172084 | — | IC50 | = | 17.0 | nM | 7.77 |
| CHEMBL2172118 | — | IC50 | = | 17.0 | nM | 7.77 |
| CHEMBL2172091 | — | IC50 | = | 19.0 | nM | 7.72 |
| CHEMBL2172086 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL2172085 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL2172119 | — | IC50 | = | 22.0 | nM | 7.66 |
| CHEMBL2172224 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL2172124 | — | IC50 | = | 27.0 | nM | 7.57 |
| CHEMBL2172109 | — | IC50 | = | 27.0 | nM | 7.57 |
| CHEMBL2172090 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL2172120 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL2172078 | — | IC50 | = | 32.0 | nM | 7.50 |
| CHEMBL2172089 | — | IC50 | = | 34.0 | nM | 7.47 |
| CHEMBL2172125 | — | IC50 | = | 38.0 | nM | 7.42 |
| CHEMBL2172123 | — | IC50 | = | 39.0 | nM | 7.41 |
| CHEMBL2172093 | — | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL2172076 | — | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL2172221 | — | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL1443272 | — | IC50 | = | 47.0 | nM | 7.33 |
| CHEMBL2172072 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL2172073 | — | IC50 | = | 53.0 | nM | 7.28 |
| CHEMBL2172111 | — | IC50 | = | 53.0 | nM | 7.28 |
| CHEMBL2172075 | — | IC50 | = | 58.0 | nM | 7.24 |
| CHEMBL2172065 | — | IC50 | = | 62.0 | nM | 7.21 |
| CHEMBL2172083 | — | IC50 | = | 68.0 | nM | 7.17 |
| CHEMBL2172108 | — | IC50 | = | 68.0 | nM | 7.17 |
| CHEMBL2172069 | — | IC50 | = | 78.0 | nM | 7.11 |
| CHEMBL2172096 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL2172092 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL2172068 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL2172106 | — | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL2172095 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL2172225 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL2169909 | — | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL1871992 | — | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL2172094 | — | IC50 | = | 330.0 | nM | 6.48 |