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Target
Beta-secretase 1
Ligand
BDBM50131775
Substrate
n/a
Meas. Tech.
ChEMBL_1525860 (CHEMBL3635179)
IC50
7.4±n/a nM
Citation
 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA 1,4-Oxazineß-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads. J Med Chem 58:8216-35 (2015) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
BACE1_MOUSE | Bace | Bace1 | Beta-secretase 1 | Beta-secretase 1 (BACE1)
Type:
Enzyme
Mol. Mass.:
55739.56
Organism:
Mus musculus (Mouse)
Description:
P56818
Residue:
501
Sequence:
MAPALHWLLLWVGSGMLPAQGTHLGIRLPLRSGLAGPPLGLRLPRETDEESEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHIPNIFSLQLCGAGFPLNQTEALASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAVSQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTADMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRHQHDDFADDISLLK
  
Inhibitor
Name:
BDBM50131775
Synonyms:
CHEMBL3634122
Type:
Small organic molecule
Emp. Form.:
C17H17ClN4O2
Mol. Mass.:
344.795
SMILES:
C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,c:6|
Structure:
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