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Target
Beta-secretase 1
Ligand
BDBM50254712
Substrate
n/a
Meas. Tech.
ChEMBL_560485 (CHEMBL1020505)
IC50
158±n/a nM
Citation
 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA Molecular modeling, synthesis, and activity studies of novel biaryl and fused-ring BACE1 inhibitors. Bioorg Med Chem Lett 19:264-74 (2008) [PubMed]  Article 
Target
Name:
Beta-secretase 1
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)
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Homo sapiens (Human)
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM50254712
Synonyms:
CHEMBL499468 | N-((1S,2R)-1-Benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-N'-((R)-1-phenyl-ethyl)-isophthalamide
Type:
Small organic molecule
Emp. Form.:
C33H40N4O5S
Mol. Mass.:
604.759
SMILES:
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O)c1ccccc1 |r|
Structure:
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