Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM50258280
Substrate
n/a
Meas. Tech.
ChEMBL_500752 (CHEMBL970531)
IC50
1800±n/a nM
Citation
 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Discovery of aminoheterocycles as a novel beta-secretase inhibitor class: pH dependence on binding activity part 1. Bioorg Med Chem Lett 19:2977-80 (2009) [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:
BDBM50258280
Synonyms:
4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)ethyl)-1-methyl-1H-imidazol-2-amine | CHEMBL494186
Type:
Small organic molecule
Emp. Form.:
C20H22N4O4
Mol. Mass.:
382.4131
SMILES:
COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cn(C)c(N)n1
Structure:
Search PDB for entries with ligand similarity: