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Target
Beta-secretase 1
Ligand
BDBM16746
Substrate
BACE Substrate Peptide
Meas. Tech.
Bace-1 Enzymatic Assay
IC50
5000±n/a nM
Citation
 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Naphthyl and coumarinyl biarylpiperazine derivatives as highly potent human beta-secretase inhibitors. Design, synthesis, and enzymatic BACE-1 and cell assays. J Med Chem 49:4275-85 (2006) [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:
BDBM16746
Synonyms:
2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazin-1-yl)phenyl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide | CHEMBL1165583 | CHEMBL206557 | Coumarin Compound, 10d
Type:
Small organic molecule
Emp. Form.:
C21H20BrN3O4
Mol. Mass.:
458.305
SMILES:
COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCNCC3)c(=O)oc12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BACE Substrate Peptide
Synonyms:
FRET peptide
Type:
Peptide
Mol. Mass.:
2253.39
Organism:
n/a
Description:
n/a
Residue:
18
Sequence:
RHEVNLDAEFKQENCHER