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Target
Beta-secretase 1
Ligand
BDBM50226453
Substrate
n/a
Meas. Tech.
ChEMBL_864591 (CHEMBL2176640)
IC50
4200±n/a nM
Citation
 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Conformational restriction approach toß-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode. J Med Chem 55:8838-58 (2012) [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:
BDBM50226453
Synonyms:
2-amino-6-[2-(3'-methoxy-1,1'-biphenyl-3-yl)ethyl]-3-methylpyrimidin-4(3H)-one | CHEMBL235754
Type:
Small organic molecule
Emp. Form.:
C20H21N3O2
Mol. Mass.:
335.3996
SMILES:
COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1
Structure:
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