| Reaction Details |
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 | Report a problem with these data |
| Target | Aldehyde dehydrogenase 1A1 |
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| Ligand | BDBM50459588 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2103061 (CHEMBL4811564) |
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| IC50 | 80±n/a nM |
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| Citation |  Huddle, BC; Grimley, E; Chtcherbinine, M; Buchman, CD; Takahashi, C; Debnath, B; McGonigal, SC; Mao, S; Li, S; Felton, J; Pan, S; Wen, B; Sun, D; Neamati, N; Buckanovich, RJ; Hurley, TD; Larsen, SD Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur J Med Chem211:0 (2021) [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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| BDBM50459588 |
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| n/a |
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| Name | BDBM50459588 |
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| Synonyms: | CHEMBL4210115 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H17FN4O2S |
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| Mol. Mass. | 408.449 |
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| SMILES | Fc1cccc(CSc2nc3nn(cc3c(=O)n2-c2ccccc2)C2COC2)c1 |
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| Structure | 
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