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Target
Beta-secretase 1
Ligand
BDBM50323202
Substrate
n/a
Meas. Tech.
ChEMBL_643854 (CHEMBL1211753)
IC50
>10000±n/a nM
Citation
 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K beta-Secretase (BACE-1) inhibitory effect of biflavonoids. Bioorg Med Chem Lett 20:4558-60 (2010) [PubMed]  Article 
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:
BDBM50323202
Synonyms:
4',7''-O-methylamentoflavone | 4',7''-di-O-methyl-amentoflavone | 4',7''-di-O-methylamentoflavone | CHEMBL208988
Type:
Small organic molecule
Emp. Form.:
C32H22O10
Mol. Mass.:
566.5111
SMILES:
COc1ccc(cc1-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.11,3.19,;1.77,3.96,;.44,3.18,;-.9,3.95,;-2.23,3.17,;-2.22,1.64,;-.88,.87,;.45,1.64,;1.63,-.31,;.31,-1.08,;-1.02,-.31,;-2.35,-1.08,;.31,-2.62,;1.63,-3.39,;1.63,-4.93,;2.97,-2.62,;2.97,-1.07,;4.3,-.3,;5.64,-1.08,;5.64,-2.62,;4.3,-3.39,;4.3,-4.93,;6.98,-.31,;8.3,-1.08,;9.64,-.32,;9.64,1.22,;10.97,1.99,;8.3,1.99,;6.98,1.22,;-3.55,.87,;-3.54,-.68,;-4.87,-1.45,;-4.87,-2.99,;-6.21,-.69,;-6.22,.85,;-7.56,1.62,;-8.88,.85,;-10.21,1.62,;-8.88,-.7,;-7.55,-1.47,;-7.56,-3,;-4.89,1.64,)|
Structure:
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