Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM16735
Substrate
BACE Substrate Peptide
Meas. Tech.
Bace-1 Enzymatic Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
46±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:
BDBM16735
Synonyms:
N-(2-{4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-1-yl}-5-phenylphenyl)naphthalene-1-carboxamide | N-(4-{4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-1-yl}biphenyl-3-yl)naphthalene-1-carboxamide | Naphthyl Compound, 5f
Type:
Small organic molecule
Emp. Form.:
C36H35N3O2
Mol. Mass.:
541.682
SMILES:
O[C@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r|
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