Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-secretase 1
LigandBDBM50379915
Substrate/Competitorn/a
Meas. Tech.ChEMBL_809981
Ki 5.4±n/a nM
Citation Cumming JNSmith EMWang LMisiaszek JDurkin JPan JIserloh UWu YZhu ZStrickland CVoigt JChen XKennedy MEKuvelkar RHyde LACox KFavreau LCzarniecki MFGreenlee WJMcKittrick BAParker EMStamford AW Structure based design of iminohydantoin BACE1 inhibitors: identification of an orally available, centrally active BACE1 inhibitor. Bioorg Med Chem Lett 22:2444-9 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1
Name:Beta-secretase 1
Synonyms:ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | 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:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50379915
n/a
NameBDBM50379915
Synonyms:CHEMBL2012070
TypeSmall organic molecule
Emp. Form.C21H20N4O
Mol. Mass.344.4097
SMILESCC#Cc1cncc(c1)-c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)C1CC1 |r,t:18|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: