Assay Detail
Binding
CHEMBL2174987
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Inhibition of AKR1C3 overexpressed in human HCT116 cells assessed as inhibition of PR-104A conversion to hydroxylamine after 2 hrs by spectrophotometric analysis
44
Total Activities
44
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Cell Type | HCT-116 |
| 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 | 44 | 7.28 | 7.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2172122 | — | — | 1 | 7.92 |
| CHEMBL2172069 | — | — | 1 | 7.89 |
| CHEMBL2172072 | — | — | 1 | 7.89 |
| CHEMBL2172114 | — | — | 1 | 7.85 |
| CHEMBL2172073 | — | — | 1 | 7.85 |
| CHEMBL2172113 | — | — | 1 | 7.80 |
| CHEMBL2172115 | — | — | 1 | 7.70 |
| CHEMBL2172087 | — | — | 1 | 7.70 |
| CHEMBL2172076 | — | — | 1 | 7.62 |
| CHEMBL2172085 | — | — | 1 | 7.62 |
| CHEMBL2172109 | — | — | 1 | 7.62 |
| CHEMBL1566492 | — | — | 1 | 7.57 |
| CHEMBL2172091 | — | — | 1 | 7.55 |
| CHEMBL2172220 | — | — | 1 | 7.54 |
| CHEMBL2172112 | — | — | 1 | 7.54 |
| CHEMBL2172224 | — | — | 1 | 7.47 |
| CHEMBL2172075 | — | — | 1 | 7.46 |
| CHEMBL2172121 | — | — | 1 | 7.41 |
| CHEMBL2172117 | — | — | 1 | 7.41 |
| CHEMBL2172088 | — | — | 1 | 7.35 |
| CHEMBL2172118 | — | — | 1 | 7.28 |
| CHEMBL2172084 | — | — | 1 | 7.14 |
| CHEMBL2172110 | — | — | 1 | 6.75 |
| CHEMBL2172111 | — | — | 1 | 6.71 |
| CHEMBL2172089 | — | — | 1 | 6.58 |
| CHEMBL2172125 | — | — | 1 | 6.41 |
| CHEMBL2172108 | — | — | 1 | 6.39 |
| CHEMBL2172116 | — | — | 1 | 6.34 |
| CHEMBL1443272 | — | — | 1 | 6.05 |
| CHEMBL2172067 | — | — | 1 | 6.05 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2172122 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL2172069 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL2172072 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL2172114 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL2172073 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL2172113 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL2172115 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL2172087 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL2172076 | — | IC50 | = | 24.0 | nM | 7.62 |
| CHEMBL2172085 | — | IC50 | = | 24.0 | nM | 7.62 |
| CHEMBL2172109 | — | IC50 | = | 24.0 | nM | 7.62 |
| CHEMBL1566492 | — | IC50 | = | 27.0 | nM | 7.57 |
| CHEMBL2172091 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL2172220 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL2172112 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL2172224 | — | IC50 | = | 34.0 | nM | 7.47 |
| CHEMBL2172075 | — | IC50 | = | 35.0 | nM | 7.46 |
| CHEMBL2172121 | — | IC50 | = | 39.0 | nM | 7.41 |
| CHEMBL2172117 | — | IC50 | = | 39.0 | nM | 7.41 |
| CHEMBL2172088 | — | IC50 | = | 45.0 | nM | 7.35 |
| CHEMBL2172118 | — | IC50 | = | 52.0 | nM | 7.28 |
| CHEMBL2172084 | — | IC50 | = | 72.0 | nM | 7.14 |
| CHEMBL2172110 | — | IC50 | = | 176.0 | nM | 6.75 |
| CHEMBL2172111 | — | IC50 | = | 193.0 | nM | 6.71 |
| CHEMBL2172089 | — | IC50 | = | 266.0 | nM | 6.58 |
| CHEMBL2172125 | — | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL2172108 | — | IC50 | = | 407.0 | nM | 6.39 |
| CHEMBL2172116 | — | IC50 | = | 453.0 | nM | 6.34 |
| CHEMBL1443272 | — | IC50 | = | 884.0 | nM | 6.05 |
| CHEMBL2172067 | — | IC50 | = | 897.0 | nM | 6.05 |
| CHEMBL2172223 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL2172225 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL2172106 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL2172077 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL2172078 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL2172119 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL2172124 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL2172086 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL2172092 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL1871992 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL2172095 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL2172096 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL1698807 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL2172065 | — | IC50 | > | 1000.0 | nM | - |