| 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 | BDBM50396700 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_942519 (CHEMBL2346174) |
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| IC50 | >30000±n/a nM |
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| Citation |  Heinrich, DM; Flanagan, JU; Jamieson, SM; Silva, S; Rigoreau, LJ; Trivier, E; Raynham, T; Turnbull, AP; Denny, WA Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3. Eur J Med Chem62:738-44 (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 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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| BDBM50396700 |
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| n/a |
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| Name | BDBM50396700 |
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| Synonyms: | CHEMBL2172076 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H20N2O3S |
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| Mol. Mass. | 356.439 |
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| SMILES | O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1 |
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| Structure | 
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