| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member C1 |
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| Ligand | BDBM50396700 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_942522 (CHEMBL2346177) |
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| IC50 | >30000±n/a nM |
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| Citation |  Heinrich, DM; Flanagan, JU; Jamieson, SM; Silva, S; Rigoreau, LJ; Trivier, E; Raynham, T; Turnbull, AP; Denny, WA Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3. Eur J Med Chem62:738-44 (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 C1 |
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| Name: | Aldo-keto reductase family 1 member C1 |
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| Synonyms: | 20-alpha-HSD | 20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) | AK1C1_HUMAN | AKR1C1 | Aldo-keto reductase family 1 member C1 (AK1C1) | Aldo-keto reductase family 1 member C1 (AK1C1a) | Aldo-keto reductase family 1 member C1 (AKR1C1) | Chlordecone reductase homolog HAKRC | DDH | DDH1 | High-affinity hepatic bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
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| Type: | Enzyme |
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| Mol. Mass.: | 36793.97 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Recombinant AKR1C1 enzyme was expressed in E. coli. |
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| Residue: | 323 |
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| Sequence: | MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
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| BDBM50396700 |
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| n/a |
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| Name | BDBM50396700 |
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| Synonyms: | CHEMBL2172076 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H20N2O3S |
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| Mol. Mass. | 356.439 |
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| SMILES | O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1 |
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| Structure | 
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