Reaction Details |
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Target | Aldehyde dehydrogenase family 1 member A3 |
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Ligand | BDBM50459586 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1766763 (CHEMBL4202010) |
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IC50 | 390±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 |
Synonyms: | AL1A3_HUMAN | ALDH1A3 | ALDH6 | Aldehyde dehydrogenase 6 | Aldehyde dehydrogenase family 1 member A3 | RALDH-3 | RalDH3 | Retinaldehyde dehydrogenase 3 |
Type: | PROTEIN |
Mol. Mass.: | 56110.85 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_109700 |
Residue: | 512 |
Sequence: | MATANGAVENGQPDRKPPALPRPIRNLEVKFTKIFINNEWHESKSGKKFATCNPSTREQI
CEVEEGDKPDVDKAVEAAQVAFQRGSPWRRLDALSRGRLLHQLADLVERDRATLAALETM
DTGKPFLHAFFIDLEGCIRTLRYFAGWADKIQGKTIPTDDNVVCFTRHEPIGVCGAITPW
NFPLLMLVWKLAPALCCGNTMVLKPAEQTPLTALYLGSLIKEAGFPPGVVNIVPGFGPTV
GAAISSHPQINKIAFTGSTEVGKLVKEAASRSNLKRVTLELGGKNPCIVCADADLDLAVE
CAHQGVFFNQGQCCTAASRVFVEEQVYSEFVRRSVEYAKKRPVGDPFDVKTEQGPQIDQK
QFDKILELIESGKKEGAKLECGGSAMEDKGLFIKPTVFSEVTDNMRIAKEEIFGPVQPIL
KFKSIEEVIKRANSTDYGLTAAVFTKNLDKALKLASALESGTVWINCYNALYAQAPFGGF
KMSGNGRELGEYALAEYTEVKTVTIKLGDKNP
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BDBM50459586 |
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n/a |
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Name | BDBM50459586 |
Synonyms: | CHEMBL4217294 |
Type | Small organic molecule |
Emp. Form. | C18H13FN4OS |
Mol. Mass. | 352.385 |
SMILES | Fc1cccc(CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c1 |
Structure |
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