| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member C4 |
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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 | 48.7±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 C4 |
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| Name: | Aldo-keto reductase family 1 member C4 |
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| Synonyms: | 3-alpha-HSD1 | 3-alpha-Hydroxysteroid Dehydrogenase Type 1 (AKR1C4) | 3-alpha-hydroxysteroid dehydrogenase type I | AK1C4_HUMAN | AKR1C4 | Aldo-keto reductase family 1 member C4 | Aldo-keto reductase family 1 member C4 (AK1C4) | CDR | CHDR | Chlordecone reductase | DD-4 | DD4 | Dihydrodiol dehydrogenase 4 | HAKRA |
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| Type: | Enzyme |
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| Mol. Mass.: | 37068.40 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P17516 |
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| Residue: | 323 |
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| Sequence: | MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPM
ALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKP
GLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPV
LCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLN
RNYRYVVMDFLMDHPDYPFSDEY
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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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