Reaction Details |
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Target | Aldehyde dehydrogenase, dimeric NADP-preferring |
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Ligand | BDBM50555600 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2053027 (CHEMBL4708028) |
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IC50 | 4205±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 |
Synonyms: | AL3A1_HUMAN | ALDH3 | ALDH3A1 | Aldehyde dehydrogenase 3A1 (ALDH3A1) | Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) | Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) (Q122A) |
Type: | Protein |
Mol. Mass.: | 50394.38 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 453 |
Sequence: | MSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQRLIQEQEQELVGALAADLHKNEWNAY
YEEVVYVLEEIEYMIQKLPEWAADEPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNL
TIQPMVGAIAAGNSVVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKER
FDHILYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAWGKFMNS
GQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGRIISARHFQRVMGLIEG
QKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEEIFGPVLPIVCVRSLEEAIQFINQREK
PLALYMFSSNDKVIKKMIAETSSGGVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFE
TFSHRRSCLVRPLMNDEGLKVRYPPSPAKMTQH
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BDBM50555600 |
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n/a |
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Name | BDBM50555600 |
Synonyms: | CHEMBL4778505 |
Type | Small organic molecule |
Emp. Form. | C17H16BrN3O2S |
Mol. Mass. | 406.297 |
SMILES | Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 |
Structure |
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