| Reaction Details |
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 | Report a problem with these data |
| Target | Aldehyde dehydrogenase 1A1 |
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| Ligand | BDBM50445557 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1285211 (CHEMBL3107142) |
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| IC50 | 1524±n/a nM |
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| Citation |  Duveau, DY; Yasgar, A; Wang, Y; Hu, X; Kouznetsova, J; Brimacombe, KR; Jadhav, A; Simeonov, A; Thomas, CJ; Maloney, DJ Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett24:630-5 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Aldehyde dehydrogenase 1A1 |
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| Name: | Aldehyde dehydrogenase 1A1 |
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| Synonyms: | AL1A1_HUMAN | ALDC | ALDH-E1 | ALDH1 | ALDH1A1 | ALHDII | Aldehyde dehydrogenase 1A1 (ALDH1A1) | Aldehyde dehydrogenase family 1 member A1 | Aldehyde dehydrogenase family 1 member A1 (ALDH1A1) | Aldehyde dehydrogenase, cytosolic | PUMB1 | RALDH 1 | RalDH1 | Retinal dehydrogenase 1 |
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| Type: | Protein |
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| Mol. Mass.: | 54862.21 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 501 |
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| Sequence: | MSSSGTPDLPVLLTDLKIQYTKIFINNEWHDSVSGKKFPVFNPATEEELCQVEEGDKEDV
DKAVKAARQAFQIGSPWRTMDASERGRLLYKLADLIERDRLLLATMESMNGGKLYSNAYL
NDLAGCIKTLRYCAGWADKIQGRTIPIDGNFFTYTRHEPIGVCGQIIPWNFPLVMLIWKI
GPALSCGNTVVVKPAEQTPLTALHVASLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDID
KVAFTGSTEVGKLIKEAAGKSNLKRVTLELGGKSPCIVLADADLDNAVEFAHHGVFYHQG
QCCIAASRIFVEESIYDEFVRRSVERAKKYILGNPLTPGVTQGPQIDKEQYDKILDLIES
GKKEGAKLECGGGPWGNKGYFVQPTVFSNVTDEMRIAKEEIFGPVQQIMKFKSLDDVIKR
ANNTFYGLSAGVFTKDIDKAITISSALQAGTVWVNCYGVVSAQCPFGGFKMSGNGRELGE
YGFHEYTEVKTVTVKISQKNS
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| BDBM50445557 |
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| n/a |
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| Name | BDBM50445557 |
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| Synonyms: | CHEMBL3102998 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H21F3N4 |
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| Mol. Mass. | 374.4027 |
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| SMILES | Cc1cc(c(C)n1-c1cccc(c1)C(F)(F)F)-c1nnc2CCCCCn12 |
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| Structure | 
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