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Target
Beta-secretase 1
Ligand
BDBM123860
Substrate
n/a
Meas. Tech.
Immunofluorescence Resonance Energy Transfer (FRET) Assay
pH
4.5±n/a
IC50
400±n/a nM
Comments
extracted
Citation
 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W 1,4-oxazepines as BACE1 and/or BACE2 inhibitors US Patent  US8748418 Publication Date 6/10/2014 
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:
BDBM123860
Synonyms:
US8748418, 4
Type:
Small organic molecule
Emp. Form.:
C17H23F2N3O2
Mol. Mass.:
339.3802
SMILES:
C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCCOC2)ccc1F |r,t:2|
Structure:
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