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Target
Beta-secretase 1
Ligand
BDBM205003
Substrate
n/a
Meas. Tech.
BACE1 Inhibiting Activity
pH
5±n/a
Temperature
303.15±n/a K
IC50
113±0.0 nM
Comments
extracted
Citation
 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity US Patent  US9540359 Publication Date 1/10/2017 
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:
BDBM205003
Synonyms:
I-100
Type:
Small organic molecule
Emp. Form.:
C20H18F3N5O2
Mol. Mass.:
417.3844
SMILES:
C[C@H]1OC(N)=N[C@@](CF)([C@H]1CF)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:4|
Structure:
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