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Target
Beta-secretase 1
Ligand
BDBM114543
Substrate
n/a
Meas. Tech.
ChEMBL_592911 (CHEMBL1048414)
Kd
15000±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:
BDBM114543
Synonyms:
(4-butoxy-3-chloranyl-phenyl)methyl carbamimidothioate;hydrochloride | (4-butoxy-3-chlorophenyl)methyl carbamimidothioate;hydrochloride | 2-(4-Butoxy-3-chloro-benzyl)-isothiourea | 2-(4-butoxy-3-chloro-benzyl)isothiourea;hydrochloride | CHEMBL568966 | MLS001029844 | SMR000427725 | carbamimidothioic acid (4-butoxy-3-chlorophenyl)methyl ester;hydrochloride | cid_16681813
Type:
Small organic molecule
Emp. Form.:
C12H17ClN2OS
Mol. Mass.:
272.794
SMILES:
CCCCOc1ccc(CSC(N)=N)cc1Cl
Structure:
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