| 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 | BDBM50462391 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1774821 (CHEMBL4231813) |
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| IC50 | 400±n/a nM |
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| Citation |  Pippione, AC; Carnovale, IM; Bonanni, D; Sini, M; Goyal, P; Marini, E; Pors, K; Adinolfi, S; Zonari, D; Festuccia, C; Wahlgren, WY; Friemann, R; Bagnati, R; Boschi, D; Oliaro-Bosso, S; Lolli, ML Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem150:930-945 (2018) [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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| BDBM50462391 |
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| n/a |
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| Name | BDBM50462391 |
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| Synonyms: | CHEMBL4238142 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H17F3N4O4 |
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| Mol. Mass. | 422.3579 |
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| SMILES | COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(c2)C(F)(F)F)cc1OC |
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| Structure | 
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