Target
Beta-secretase 1
Ligand
BDBM50393088
Substrate
n/a
Meas. Tech.
ChEMBL_874707 (CHEMBL2187563)
IC50
2.6±n/a nM
Citation
 Swahn, BMKolmodin, KKarlström, Svon Berg, SSöderman, PHolenz, JBerg, SLindström, JSundström, MTurek, DKihlström, JSlivo, CAndersson, LPyring, DRotticci, DOhberg, LKers, ABogar, Kvon Kieseritzky, FBergh, MOlsson, LLJanson, JEketjäll, SGeorgievska, BJeppsson, FFälting, J Design and synthesis ofß-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction ofß-amyloid peptides. J Med Chem 55:9346-61 (2012) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
BACE1_MOUSE | Bace | Bace1 | Beta-secretase 1 | Beta-secretase 1 (BACE1)
Type:
Enzyme
Mol. Mass.:
55739.56
Organism:
Mus musculus (Mouse)
Description:
P56818
Residue:
501
Sequence:
MAPALHWLLLWVGSGMLPAQGTHLGIRLPLRSGLAGPPLGLRLPRETDEESEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHIPNIFSLQLCGAGFPLNQTEALASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAVSQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTADMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRHQHDDFADDISLLK
  
Inhibitor
Name:
BDBM50393088
Synonyms:
CHEMBL2152903
Type:
Small organic molecule
Emp. Form.:
C30H25FN4O
Mol. Mass.:
476.5441
SMILES:
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC |r,t:12|
Structure:
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