Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM50357477
Substrate
n/a
Meas. Tech.
ChEMBL_787404 (CHEMBL1919283)
IC50
140±n/a nM
Citation
 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors. Bioorg Med Chem Lett 21:6909-15 (2011) [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:
BDBM50357477
Synonyms:
CHEMBL1917908
Type:
Small organic molecule
Emp. Form.:
C39H48F2N4O5
Mol. Mass.:
690.819
SMILES:
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O |r|
Structure:
Search PDB for entries with ligand similarity: