| 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 | BDBM50427629 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_941821 (CHEMBL2329812) |
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| IC50 | >100000±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 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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| BDBM50427629 |
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| n/a |
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| Name | BDBM50427629 |
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| Synonyms: | CHEMBL179587 | US9346803, Table 2, Compound 7: 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)-1H-indol-3-yl]acetic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C20H19NO4 |
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| Mol. Mass. | 337.3692 |
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| SMILES | COc1ccc2n(C(=O)c3ccc(C)cc3)c(C)c(CC(O)=O)c2c1 |
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| Structure | 
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