| Reaction Details |
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 | Report a problem with these data |
| Target | Aldehyde dehydrogenase, dimeric NADP-preferring |
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| Ligand | BDBM50555617 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2053027 (CHEMBL4708028) |
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| IC50 | 246±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, dimeric NADP-preferring |
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| Name: | Aldehyde dehydrogenase, dimeric NADP-preferring |
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| Synonyms: | AL3A1_HUMAN | ALDH3 | ALDH3A1 | Aldehyde dehydrogenase 3A1 (ALDH3A1) | Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) | Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) (Q122A) |
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| Type: | Protein |
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| Mol. Mass.: | 50394.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 453 |
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| Sequence: | MSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQRLIQEQEQELVGALAADLHKNEWNAY
YEEVVYVLEEIEYMIQKLPEWAADEPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNL
TIQPMVGAIAAGNSVVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKER
FDHILYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAWGKFMNS
GQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGRIISARHFQRVMGLIEG
QKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEEIFGPVLPIVCVRSLEEAIQFINQREK
PLALYMFSSNDKVIKKMIAETSSGGVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFE
TFSHRRSCLVRPLMNDEGLKVRYPPSPAKMTQH
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| BDBM50555617 |
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| n/a |
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| Name | BDBM50555617 |
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| Synonyms: | CHEMBL4791741 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H15BrFN3O2Se |
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| Mol. Mass. | 471.18 |
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| SMILES | Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cccc(F)c-23)cc1 |
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| Structure | 
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