| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member C3 |
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| Ligand | BDBM50427670 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_941824 (CHEMBL2329815) |
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| IC50 | 2500±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 C3 |
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| Name: | Aldo-keto reductase family 1 member C3 |
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| Synonyms: | 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) | 3-alpha-HSD type 2 | AK1C3_HUMAN | AKR1C3 | Aldo-keto reductase family 1 member C3 | Aldo-keto reductase family 1 member C3 (AK1C3) | Aldo-keto reductase family 1 member C3 (AK1C3a) | Aldo-keto reductase family 1 member C3 (AKR1C3) | Aldo-keto-reductase family 1 member C3 | DDH1 | Dihydrodiol dehydrogenase 3 | Dihydrodiol dehydrogenase type I | Estradiol 17-beta-dehydrogenase | HSD17B5 | KIAA0119 | PGFS | Prostaglandin F synthase | Testosterone 17-beta-dehydrogenase 5 | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
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| Type: | Enzyme |
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| Mol. Mass.: | 36859.86 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P42330 |
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| Residue: | 323 |
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| Sequence: | MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPM
SLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLD
RNLHYFNSDSFASHPNYPYSDEY
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| BDBM50427670 |
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| n/a |
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| Name | BDBM50427670 |
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| Synonyms: | CHEMBL2323518 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H22ClF3N2O6S |
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| Mol. Mass. | 594.987 |
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| SMILES | COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c(C)c2c1 |
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| Structure | 
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