Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM50092471
Substrate
n/a
Meas. Tech.
ChEMBL_1500714 (CHEMBL3588064)
IC50
1830±n/a nM
Citation
 Winneroski, LL; Schiffler, MA; Erickson, JA; May, PC; Monk, SA; Timm, DE; Audia, JE; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hudziak, KJ; Klimkowski, VJ; Garcia Losada, P; Mathes, BM; Stout, SL; Watson, BM; Mergott, DJ Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg Med Chem 23:3260-8 (2015) [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:
BDBM50092471
Synonyms:
CHEMBL3586130
Type:
Small organic molecule
Emp. Form.:
C15H19Cl2N3OS
Mol. Mass.:
360.302
SMILES:
Cl.NC1=NC2CCC(CC2CS1)NC(=O)c1cccc(Cl)c1 |t:1|
Structure:
Search PDB for entries with ligand similarity: