Reaction Details |
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Target | Aldo-keto reductase family 1 member C3 |
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Ligand | BDBM50427646 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_941824 (CHEMBL2329815) |
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IC50 | 1190±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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 36859.86 |
Organism: | Homo sapiens (Human) |
Description: | P42330 |
Residue: | 323 |
Sequence: | MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPM
SLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLD
RNLHYFNSDSFASHPNYPYSDEY
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BDBM50427646 |
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n/a |
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Name | BDBM50427646 |
Synonyms: | CHEMBL2323492 |
Type | Small organic molecule |
Emp. Form. | C28H21ClN2O5S |
Mol. Mass. | 532.995 |
SMILES | COc1ccc2n(cc(CC(=O)NS(=O)(=O)c3ccc4ccccc4c3)c2c1)C(=O)c1ccc(Cl)cc1 |
Structure |
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