| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50387063 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_827645 (CHEMBL2050684) |
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| IC50 | 260±n/a nM |
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| Citation |  Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnström, I; Samuelsson, B; Belda, O; Dahlgren, A Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg Med Chem20:4377-89 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-secretase 1 |
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| Name: | Beta-secretase 1 |
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| Synonyms: | ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1) |
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| Type: | Protein |
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| Mol. Mass.: | 55755.10 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P56817 |
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| Residue: | 501 |
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| Sequence: | MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
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| BDBM50387063 |
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| n/a |
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| Name | BDBM50387063 |
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| Synonyms: | CHEMBL2047040 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H44N4O6S |
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| Mol. Mass. | 648.812 |
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| SMILES | CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\C[C@H](NC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c2ccccc2)c1 |r,t:17| |
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| Structure | 
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