Target
Beta-secretase 1
Ligand
BDBM50392778
Substrate
n/a
Meas. Tech.
ChEMBL_853104 (CHEMBL2154572)
IC50
8.3±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:
BDBM50392778
Synonyms:
CHEMBL2151153
Type:
Small organic molecule
Emp. Form.:
C28H38ClN3O3
Mol. Mass.:
500.073
SMILES:
CC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
Structure:
Search PDB for entries with ligand similarity: