Reaction Details |
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Target | Aldehyde dehydrogenase 1A1 |
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Ligand | BDBM22794 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1295319 (CHEMBL3130567) |
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IC50 | 20±n/a nM |
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Citation | Kimble-Hill, AC; Parajuli, B; Chen, CH; Mochly-Rosen, D; Hurley, TD Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones. J Med Chem57:714-22 (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 |
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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BDBM22794 |
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n/a |
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Name | BDBM22794 |
Synonyms: | 1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-based compound, 14 |
Type | Small organic molecule |
Emp. Form. | C15H11NO2 |
Mol. Mass. | 237.2533 |
SMILES | O=C1N(Cc2ccccc2)c2ccccc2C1=O |
Structure |
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