Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM342441
Substrate
n/a
Meas. Tech.
Cell-Free Assay
IC50
395±n/a nM
Citation
 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT N-(2-(2-amino-6-substituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]OXAZIN-8a(8H)-yl)-thiazol-4-yl) amides US Patent  US9771379 Publication Date 9/26/2017 
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:
BDBM342441
Synonyms:
N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spiro [cyclobutane-1,6'-pyrano [3,4-d][1,3]oxazin]-8a'(8'H)- yl)thiazol-4-yl)-5-cyano picolinamide | US9771379, Example 16
Type:
Small organic molecule
Emp. Form.:
C20H20N6O3S
Mol. Mass.:
424.476
SMILES:
NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 |r,t:1|
Structure:
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