| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member C2 |
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| Ligand | BDBM50427664 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_941825 (CHEMBL2329816) |
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| IC50 | 45140±n/a nM |
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| Citation |  Liedtke, AJ; Adeniji, AO; Chen, M; Byrns, MC; Jin, Y; Christianson, DW; Marnett, LJ; Penning, TM Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17ß-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer. J Med Chem56:2429-46 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Aldo-keto reductase family 1 member C2 |
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| Name: | Aldo-keto reductase family 1 member C2 |
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| Synonyms: | 3-alpha-HSD3 | 3-alpha-Hydroxysteroid Dehydrogenase Type 3 (AKR1C2) | AK1C2_HUMAN | AKR1C2 | Aldo-keto reductase family 1 member C2 (AK1C2) | Aldo-keto reductase family 1 member C2 (AK1C2a) | Aldo-keto reductase family 1 member C2 (AKR1C2) | Chlordecone reductase homolog HAKRD | DD-2 | DD/BABP | DDH2 | Dihydrodiol dehydrogenase 2 | Dihydrodiol dehydrogenase/bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | Type III 3-alpha-hydroxysteroid dehydrogenase |
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| Type: | Enzyme |
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| Mol. Mass.: | 36739.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 323 |
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| Sequence: | MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHHIDSAHVYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNHRLLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
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| BDBM50427664 |
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| n/a |
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| Name | BDBM50427664 |
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| Synonyms: | CHEMBL2323473 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H19NO5 |
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| Mol. Mass. | 353.3686 |
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| SMILES | COc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2cc(OC)ccc12 |
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| Structure | 
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