| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50274105 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_537543 (CHEMBL987112) |
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| IC50 | >10000±n/a nM |
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| Citation |  Bäck, M; Nyhlén, J; Kvarnström, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nyström, S; Hallberg, A; Rosenquist, S; Samuelsson, B Design, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues. Bioorg Med Chem16:9471-86 (2008) [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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| BDBM50274105 |
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| n/a |
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| Name | BDBM50274105 |
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| Synonyms: | CHEMBL455292 | N-[(1S,2S)-3-Cyclopropylcarbamoyl-1-(3,5-difluorophenoxymethyl)-2-hydroxy-propyl]-5-(methanesulfonylmethyl-amino)-N0-((R)-1-phenyl-ethyl)-isophthalamide |
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| Type | Small organic molecule |
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| Emp. Form. | C32H36F2N4O7S |
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| Mol. Mass. | 658.713 |
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| SMILES | C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| |
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| Structure | 
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