Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM15788
Substrate
BACE-1 Peptide Substrate
Meas. Tech.
BACE-1 Inhibition Assay
pH
5±n/a
Temperature
295.15±n/a K
Comments
66% inhibition mM.
Citation
 Murray, CW; Callaghan, O; Chessari, G; Cleasby, A; Congreve, M; Frederickson, M; Hartshorn, MJ; McMenamin, R; Patel, S; Wallis, N Application of fragment screening by X-ray crystallography to beta-secretase. J Med Chem 50:1116-23 (2007) [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:
BDBM15788
Synonyms:
4-[(4-fluorophenyl)methyl]piperidine | CHEMBL1204355 | CHEMBL144527 | fragment 4 | piperidine 4
Type:
Small organic molecule
Emp. Form.:
C12H16FN
Mol. Mass.:
193.2605
SMILES:
Fc1ccc(CC2CCNCC2)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BACE-1 Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2721.34
Organism:
n/a
Description:
n/a
Residue:
23
Sequence:
REEDANSEVNLDAEFKDACYLRH