Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM231559
Substrate
n/a
Meas. Tech.
Fluorescence Resonance Energy Transfer (FRET) Assay
pH
4.2±n/a
IC50
3826±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:
BDBM231559
Synonyms:
US9346827, 3B
Type:
Small organic molecule
Emp. Form.:
C16H13BrClN3O2
Mol. Mass.:
394.65
SMILES:
NC1=N[C@@]2(COCC1)c1cc(Br)ccc1Oc1cnc(Cl)cc21 |r,t:1|
Structure:
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