| Reaction Details |
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 | Report a problem with these data |
| Target | Aldehyde dehydrogenase, mitochondrial |
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| Ligand | BDBM50555606 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2053026 (CHEMBL4708027) |
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| IC50 | 2137±n/a nM |
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| Citation |  Dinavahi, SS; Gowda, R; Bazewicz, CG; Battu, MB; Lin, JM; Chitren, RJ; Pandey, MK; Amin, S; Robertson, GP; Gowda, K Design, synthesis characterization and biological evaluation of novel multi-isoform ALDH inhibitors as potential anticancer agents. Eur J Med Chem187:0 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Aldehyde dehydrogenase, mitochondrial |
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| Name: | Aldehyde dehydrogenase, mitochondrial |
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| Synonyms: | ALDH class 2 | ALDH-E2 | ALDH2 | ALDH2_HUMAN | ALDHI | ALDM | Aldehyde dehydrogenase (ALDH2) |
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| Type: | Enzyme |
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| Mol. Mass.: | 56382.67 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05091 |
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| Residue: | 517 |
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| Sequence: | MLRAAARFGPRLGRRLLSAAATQAVPAPNQQPEVFCNQIFINNEWHDAVSRKTFPTVNPS
TGEVICQVAEGDKEDVDKAVKAARAAFQLGSPWRRMDASHRGRLLNRLADLIERDRTYLA
ALETLDNGKPYVISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDFFSYTRHEPVGVCG
QIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNIVPG
FGPTAGAAIASHEDVDKVAFTGSTEIGRVIQVAAGSSNLKRVTLELGGKSPNIIMSDADM
DWAVEQAHFALFFNQGQCCCAGSRTFVQEDIYDEFVERSVARAKSRVVGNPFDSKTEQGP
QVDETQFKKILGYINTGKQEGAKLLCGGGIAADRGYFIQPTVFGDVQDGMTIAKEEIFGP
VMQILKFKTIEEVVGRANNSTYGLAAAVFTKDLDKANYLSQALQAGTVWVNCYDVFGAQS
PFGGYKMSGSGRELGEYGLQAYTEVKTVTVKVPQKNS
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| BDBM50555606 |
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| n/a |
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| Name | BDBM50555606 |
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| Synonyms: | CHEMBL4742685 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H15BrF3N3O2S |
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| Mol. Mass. | 474.295 |
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| SMILES | Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(ccc23)C(F)(F)F)cc1 |
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| Structure | 
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