Target
Beta-secretase 1
Ligand
BDBM50432526
Substrate
n/a
Meas. Tech.
ChEMBL_954243 (CHEMBL2352293)
IC50
135±n/a nM
Citation
 Hunt, KWCook, AWWatts, RJClark, CTVigers, GSmith, DMetcalf, ATGunawardana, IWBurkard, MCox, AAGeck Do, MKDutcher, DThomas, AARana, SKallan, NCDeLisle, RKRizzi, JPRegal, KSammond, DGroneberg, RSiu, MPurkey, HLyssikatos, JPMarlow, ALiu, XTang, TP Spirocyclicß-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloidß in a higher species. J Med Chem 56:3379-403 (2013) [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:
BDBM50432526
Synonyms:
CHEMBL2349479
Type:
Small organic molecule
Emp. Form.:
C18H19N5OS
Mol. Mass.:
353.441
SMILES:
CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cncnc2)C1=O |c:3|
Structure:
Search PDB for entries with ligand similarity: