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Target
Beta-secretase 1
Ligand
BDBM50300228
Substrate
n/a
Meas. Tech.
ChEMBL_592915 (CHEMBL1048418)
IC50
2600±n/a nM
Citation
 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Discovery of cyclic acylguanidines as highly potent and selective beta-site amyloid cleaving enzyme (BACE) inhibitors: Part I--inhibitor design and validation. J Med Chem 53:951-65 (2010) [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:
BDBM50300228
Synonyms:
(2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one | (R)-3-Methyl-5-cyclohexylethyl-5-cyclohexylmethyl-2-iminohydantoin | CHEMBL583178
Type:
Small organic molecule
Emp. Form.:
C19H33N3O
Mol. Mass.:
319.4848
SMILES:
CN1C(N)=N[C@](CCC2CCCCC2)(CC2CCCCC2)C1=O |r,c:3|
Structure:
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