Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM50300183
Substrate
n/a
Meas. Tech.
ChEMBL_594469 (CHEMBL1041518)
IC50
>10000±n/a nM
Citation
 Meredith, JA; Björklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B P2'-truncated BACE-1 inhibitors with a novel hydroxethylene-like core. Eur J Med Chem 45:542-54 (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:
BDBM50300183
Synonyms:
CHEMBL583701 | N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-5-(4-fluorobenzyloxy)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonyl-methylamino)-N'-(1R-phenyl-ethyl)-isophthalamide
Type:
Small organic molecule
Emp. Form.:
C38H42F3N3O8S
Mol. Mass.:
757.816
SMILES:
CO[C@@H](COCc1ccc(F)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity: