| Reaction Details |
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 | Report a problem with these data |
| Target | Aldehyde dehydrogenase, dimeric NADP-preferring |
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| Ligand | BDBM47902 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1295316 (CHEMBL3130564) |
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| IC50 | 310±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, 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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| BDBM47902 |
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| n/a |
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| Name | BDBM47902 |
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| Synonyms: | 1-[(2E)-3-phenylprop-2-enyl]-1H-indole-2,3-dione | 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione | 1-[(E)-cinnamyl]isatin | MLS001202142 | SMR000565059 | cid_2057118 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H13NO2 |
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| Mol. Mass. | 263.2906 |
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| SMILES | O=C1N(C\C=C\c2ccccc2)c2ccccc2C1=O |
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| Structure | 
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