Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM50393096
Substrate
n/a
Meas. Tech.
Fluorescence Resonance Energy Transfer (FRET) Assay
pH
4.2±n/a
IC50
0.5±n/a nM
Comments
extracted
Citation
 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R 5-amino-oxazepine and 5-amino-thiazepane compounds as beta secretase antagonists and methods of use US Patent  US9346827 Publication Date 5/24/2016 
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:
BDBM50393096
Synonyms:
CHEMBL2152911 | US9346827, 15
Type:
Small organic molecule
Emp. Form.:
C27H27F2N3O3
Mol. Mass.:
479.5184
SMILES:
CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COCCC(N)=N3)c2c1)-c1cccnc1F |r,c:25|
Structure:
Search PDB for entries with ligand similarity: