| Reaction Details |
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 | Report a problem with these data |
| Target | Aldehyde dehydrogenase family 1 member A3 |
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| Ligand | BDBM50459603 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1766763 (CHEMBL4202010) |
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| IC50 | 90±n/a nM |
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| Citation |  Huddle, BC; Grimley, E; Buchman, CD; Chtcherbinine, M; Debnath, B; Mehta, P; Yang, K; Morgan, CA; Li, S; Felton, J; Sun, D; Mehta, G; Neamati, N; Buckanovich, RJ; Hurley, TD; Larsen, SD Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy. J Med Chem61:8754-8773 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Aldehyde dehydrogenase family 1 member A3 |
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| Name: | Aldehyde dehydrogenase family 1 member A3 |
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| Synonyms: | AL1A3_HUMAN | ALDH1A3 | ALDH6 | Aldehyde dehydrogenase 6 | Aldehyde dehydrogenase family 1 member A3 | RALDH-3 | RalDH3 | Retinaldehyde dehydrogenase 3 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 56110.85 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_109700 |
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| Residue: | 512 |
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| Sequence: | MATANGAVENGQPDRKPPALPRPIRNLEVKFTKIFINNEWHESKSGKKFATCNPSTREQI
CEVEEGDKPDVDKAVEAAQVAFQRGSPWRRLDALSRGRLLHQLADLVERDRATLAALETM
DTGKPFLHAFFIDLEGCIRTLRYFAGWADKIQGKTIPTDDNVVCFTRHEPIGVCGAITPW
NFPLLMLVWKLAPALCCGNTMVLKPAEQTPLTALYLGSLIKEAGFPPGVVNIVPGFGPTV
GAAISSHPQINKIAFTGSTEVGKLVKEAASRSNLKRVTLELGGKNPCIVCADADLDLAVE
CAHQGVFFNQGQCCTAASRVFVEEQVYSEFVRRSVEYAKKRPVGDPFDVKTEQGPQIDQK
QFDKILELIESGKKEGAKLECGGSAMEDKGLFIKPTVFSEVTDNMRIAKEEIFGPVQPIL
KFKSIEEVIKRANSTDYGLTAAVFTKNLDKALKLASALESGTVWINCYNALYAQAPFGGF
KMSGNGRELGEYALAEYTEVKTVTIKLGDKNP
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| BDBM50459603 |
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| n/a |
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| Name | BDBM50459603 |
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| Synonyms: | CHEMBL4213331 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H15FN4OS |
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| Mol. Mass. | 366.412 |
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| SMILES | Cn1ncc2c1nc(SCc1cccc(F)c1)n(-c1ccccc1)c2=O |
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| Structure | 
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