| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member C1 |
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| Ligand | BDBM50293598 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assay |
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| IC50 | >100±n/a nM |
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| Citation |  Marnett, LJ; Liedtke, AJ; Penning, TM; Adeniji, AO; Byrns, MC Indomethacin analogs for the treatment of castrate-resistant prostate cancer US Patent US9346803 Publication Date 5/24/2016 |
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| More Info.: | Get all data from this article, Assay Method |
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| Aldo-keto reductase family 1 member C1 |
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| Name: | Aldo-keto reductase family 1 member C1 |
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| Synonyms: | 20-alpha-HSD | 20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) | AK1C1_HUMAN | AKR1C1 | Aldo-keto reductase family 1 member C1 (AK1C1) | Aldo-keto reductase family 1 member C1 (AK1C1a) | Aldo-keto reductase family 1 member C1 (AKR1C1) | Chlordecone reductase homolog HAKRC | DDH | DDH1 | High-affinity hepatic bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
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| Type: | Enzyme |
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| Mol. Mass.: | 36793.97 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Recombinant AKR1C1 enzyme was expressed in E. coli. |
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| Residue: | 323 |
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| Sequence: | MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
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| BDBM50293598 |
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| n/a |
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| Name | BDBM50293598 |
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| Synonyms: | 2'-des-methyl indomethacin | CHEMBL503179 | US9346803, Des-methylIndomethacin |
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| Type | Small organic molecule |
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| Emp. Form. | C18H14ClNO4 |
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| Mol. Mass. | 343.761 |
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| SMILES | COc1ccc2n(cc(CC(O)=O)c2c1)C(=O)c1ccc(Cl)cc1 |
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| Structure | 
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