Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM50383839
Substrate
n/a
Meas. Tech.
ChEMBL_874925 (CHEMBL2183110)
IC50
5±n/a nM
Citation
 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Structure- and property-based design of aminooxazoline xanthenes as selective, orally efficacious, and CNS penetrable BACE inhibitors for the treatment of Alzheimer's disease. J Med Chem 55:9156-69 (2012) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
Aspartyl protease 2 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | ASP2 | Asp 2 | Beta-site amyloid precursor protein cleaving enzyme 1 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1) | Beta-secretase 1 | Beta-secretase (BACE) | BACE1_HUMAN | BACE1 | BACE | KIAA1149
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Human
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM50383839
Synonyms:
CHEMBL2030997
Type:
Small organic molecule
Emp. Form.:
C28H38FN3O3
Mol. Mass.:
n/a
SMILES:
CC(=O)N[C@@H](Cc1ccc(cc1)F)[C@@H](CN[C@H]2CC3(CCC3)Oc4c2cc(cn4)CC(C)(C)C)O
Structure:
Search PDB for entries with ligand similarity: