Reaction Details |
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Target | Aldehyde dehydrogenase 1A1 |
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Ligand | BDBM50076544 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1473980 (CHEMBL3419576) |
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IC50 | >20000±n/a nM |
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Citation | Morgan, CA; Hurley, TD Characterization of two distinct structural classes of selective aldehyde dehydrogenase 1A1 inhibitors. J Med Chem58:1964-75 (2015) [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 |
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 |
Type: | Protein |
Mol. Mass.: | 54862.21 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 501 |
Sequence: | MSSSGTPDLPVLLTDLKIQYTKIFINNEWHDSVSGKKFPVFNPATEEELCQVEEGDKEDV
DKAVKAARQAFQIGSPWRTMDASERGRLLYKLADLIERDRLLLATMESMNGGKLYSNAYL
NDLAGCIKTLRYCAGWADKIQGRTIPIDGNFFTYTRHEPIGVCGQIIPWNFPLVMLIWKI
GPALSCGNTVVVKPAEQTPLTALHVASLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDID
KVAFTGSTEVGKLIKEAAGKSNLKRVTLELGGKSPCIVLADADLDNAVEFAHHGVFYHQG
QCCIAASRIFVEESIYDEFVRRSVERAKKYILGNPLTPGVTQGPQIDKEQYDKILDLIES
GKKEGAKLECGGGPWGNKGYFVQPTVFSNVTDEMRIAKEEIFGPVQQIMKFKSLDDVIKR
ANNTFYGLSAGVFTKDIDKAITISSALQAGTVWVNCYGVVSAQCPFGGFKMSGNGRELGE
YGFHEYTEVKTVTVKISQKNS
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BDBM50076544 |
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n/a |
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Name | BDBM50076544 |
Synonyms: | CHEMBL3416553 |
Type | Small organic molecule |
Emp. Form. | C23H32N6O3 |
Mol. Mass. | 440.5386 |
SMILES | CCCCn1c(CN2CCN(CC2)c2ccc(OC)cc2)nc2n(C)c(=O)n(C)c(=O)c12 |
Structure |
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