| Reaction Details |
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 | Report a problem with these data |
| Target | Aldehyde dehydrogenase 1A1 |
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| Ligand | BDBM50236904 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1659738 (CHEMBL4009350) |
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| Ki | 170±n/a nM |
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| Citation |  Buchman, CD; Hurley, TD Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J Med Chem60:2439-2455 (2017) [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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| BDBM50236904 |
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| n/a |
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| Name | BDBM50236904 |
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| Synonyms: | CHEMBL1335126 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H25NO4 |
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| Mol. Mass. | 367.4382 |
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| SMILES | Cc1oc2cc3oc(=O)c(CCC(=O)N4CCCCC4)c(C)c3cc2c1C |
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| Structure | 
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