Assay Detail
Binding
CHEMBL2175095
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human recombinant N-terminal His6-tagged AKR1C1 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
74
Total Activities
74
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 C1 (CHEMBL5905) ↗| 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 | 74 | 5.19 | 6.14 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2172064 | — | — | 1 | 6.14 |
| CHEMBL2172091 | — | — | 1 | 6.13 |
| CHEMBL2172108 | — | — | 1 | 6.08 |
| CHEMBL23588 | FLUFENAMIC ACID | 2.0 | 1 | 5.58 |
| CHEMBL509 | MECLOFENAMIC ACID | 4.0 | 1 | 5.50 |
| CHEMBL1443272 | — | — | 1 | 5.41 |
| CHEMBL2172225 | — | — | 1 | 5.18 |
| CHEMBL2172121 | — | — | 1 | 5.13 |
| CHEMBL2172060 | — | — | 1 | 4.96 |
| CHEMBL2172123 | — | — | 1 | 4.86 |
| CHEMBL2172081 | — | — | 1 | 4.82 |
| CHEMBL2172120 | — | — | 1 | 4.75 |
| CHEMBL1566492 | — | — | 1 | 4.69 |
| CHEMBL2172079 | — | — | 1 | 4.65 |
| CHEMBL2172112 | — | — | 1 | 4.61 |
| CHEMBL2172116 | — | — | 1 | 4.59 |
| CHEMBL2172086 | — | — | 1 | - |
| CHEMBL2172223 | — | — | 1 | - |
| CHEMBL2172085 | — | — | 1 | - |
| CHEMBL2172084 | — | — | 1 | - |
| CHEMBL2172083 | — | — | 1 | - |
| CHEMBL2172222 | — | — | 1 | - |
| CHEMBL2172221 | — | — | 1 | - |
| CHEMBL2172220 | — | — | 1 | - |
| CHEMBL2172125 | — | — | 1 | - |
| CHEMBL2172124 | — | — | 1 | - |
| CHEMBL2172122 | — | — | 1 | - |
| CHEMBL2172119 | — | — | 1 | - |
| CHEMBL2172118 | — | — | 1 | - |
| CHEMBL2172117 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2172064 | — | IC50 | = | 730.0 | nM | 6.14 |
| CHEMBL2172091 | — | IC50 | = | 740.0 | nM | 6.13 |
| CHEMBL2172108 | — | IC50 | = | 830.0 | nM | 6.08 |
| CHEMBL23588 | FLUFENAMIC ACID | IC50 | = | 2640.0 | nM | 5.58 |
| CHEMBL509 | MECLOFENAMIC ACID | IC50 | = | 3160.0 | nM | 5.50 |
| CHEMBL1443272 | — | IC50 | = | 3890.0 | nM | 5.41 |
| CHEMBL2172225 | — | IC50 | = | 6610.0 | nM | 5.18 |
| CHEMBL2172121 | — | IC50 | = | 7480.0 | nM | 5.13 |
| CHEMBL2172060 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL2172123 | — | IC50 | = | 13900.0 | nM | 4.86 |
| CHEMBL2172081 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL2172120 | — | IC50 | = | 17600.0 | nM | 4.75 |
| CHEMBL1566492 | — | IC50 | = | 20300.0 | nM | 4.69 |
| CHEMBL2172079 | — | IC50 | = | 22200.0 | nM | 4.65 |
| CHEMBL2172112 | — | IC50 | = | 24600.0 | nM | 4.61 |
| CHEMBL2172116 | — | IC50 | = | 25600.0 | nM | 4.59 |
| CHEMBL2172111 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172110 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172109 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL563 | FLURBIPROFEN | IC50 | > | 100000.0 | nM | - |
| CHEMBL175 | DEXIBUPROFEN | IC50 | > | 100000.0 | nM | - |
| CHEMBL154 | NAPROXEN | IC50 | > | 100000.0 | nM | - |
| CHEMBL6 | INDOMETHACIN | IC50 | > | 100000.0 | nM | - |
| CHEMBL2172063 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172061 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172107 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172106 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172224 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172100 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172078 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172077 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172076 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172075 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172125 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172086 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172223 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172085 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172084 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172083 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172222 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172221 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172220 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172113 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172124 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172122 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172119 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172118 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172117 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172115 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2172114 | — | IC50 | > | 30000.0 | nM | - |