| 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 | BDBM50595596 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2217172 (CHEMBL5130304) |
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| IC50 | 730±n/a nM |
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| Citation |  He, S; Liu, Y; Chu, X; Li, Q; Lyu, W; Liu, Y; Xing, S; Feng, F; Liu, W; Guo, Q; Zhao, L; Sun, H Discovery of Novel Aldo-Keto Reductase 1C3 Inhibitors as Chemotherapeutic Potentiators for Cancer Drug Resistance. ACS Med Chem Lett13:1286-1294 (2022) [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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| BDBM50595596 |
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| n/a |
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| Name | BDBM50595596 |
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| Synonyms: | CHEMBL5203670 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H21N3O3S |
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| Mol. Mass. | 371.453 |
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| SMILES | CCCc1cc(=O)[nH]c(SCC(=O)c2ccc3NC(=O)CCCc3c2)n1 |
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| Structure | 
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