Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM50424346
Substrate
n/a
Meas. Tech.
ChEMBL_935306 (CHEMBL2318423)
IC50
2400±n/a nM
Citation
 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Novel peptidomimetics as BACE-1 inhibitors: synthesis, molecular modeling, and biological studies. Bioorg Med Chem Lett 23:85-9 (2012) [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:
BDBM50424346
Synonyms:
CHEMBL2314792
Type:
Small organic molecule
Emp. Form.:
C38H35N3O5
Mol. Mass.:
613.7016
SMILES:
OC(CNCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 |r|
Structure:
Search PDB for entries with ligand similarity: