Target
Beta-secretase 1
Ligand
BDBM50392787
Substrate
n/a
Meas. Tech.
ChEMBL_853104 (CHEMBL2154572)
IC50
4.5±n/a nM
Citation
 Kaller, MRHarried, SSAlbrecht, BAmarante, PBabu-Khan, SBartberger, MDBrown, JBrown, RChen, KCheng, YCitron, MCroghan, MDGraceffa, RHickman, DJudd, TKriemen, CLa, DLi, VLopez, PLuo, YMasse, CMonenschein, HNguyen, TPennington, LDMiguel, TSSickmier, EAWahl, RCWeiss, MMWen, PHWilliamson, TWood, SXue, MYang, BZhang, JPatel, VZhong, WHitchcock, S A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of ß-Secretase. ACS Med Chem Lett 3:886-891 (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:
BDBM50392787
Synonyms:
CHEMBL2151242
Type:
Small organic molecule
Emp. Form.:
C29H40FN3O4
Mol. Mass.:
513.644
SMILES:
COc1cc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc23)ccc1F |r|
Structure:
Search PDB for entries with ligand similarity: