Target
Beta-secretase 1
Ligand
BDBM50392838
Substrate
n/a
Meas. Tech.
ChEMBL_853303 (CHEMBL2155063)
Ki
33±n/a nM
Citation
 Stamford, AWScott, JDLi, SWBabu, STadesse, DHunter, RWu, YMisiaszek, JCumming, JNGilbert, EJHuang, CMcKittrick, BAHong, LGuo, TZhu, ZStrickland, COrth, PVoigt, JHKennedy, MEChen, XKuvelkar, RHodgson, RHyde, LACox, KFavreau, LParker, EMGreenlee, WJ Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS Aß Reduction. ACS Med Chem Lett 3:897-902 (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:
BDBM50392838
Synonyms:
CHEMBL2151179
Type:
Small organic molecule
Emp. Form.:
C18H18N4OS
Mol. Mass.:
338.427
SMILES:
CC#Cc1cncc(c1)-c1ccc(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24|
Structure:
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