| 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 | BDBM50509973 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1839846 (CHEMBL4340061) |
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| IC50 | 14250±n/a nM |
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| Citation |  Lolli, ML; Carnovale, IM; Pippione, AC; Wahlgren, WY; Bonanni, D; Marini, E; Zonari, D; Gallicchio, M; Boscaro, V; Goyal, P; Friemann, R; Rolando, B; Bagnati, R; Adinolfi, S; Oliaro-Bosso, S; Boschi, D Bioisosteres of Indomethacin as Inhibitors of Aldo-Keto Reductase 1C3. ACS Med Chem Lett10:437-443 (2019) [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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| BDBM50509973 |
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| n/a |
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| Name | BDBM50509973 |
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| Synonyms: | CHEMBL4590005 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H19ClN4O3 |
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| Mol. Mass. | 410.854 |
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| SMILES | COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nn(C)nc3O)c2c1 |
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| Structure | 
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