Target
Beta-secretase 1
Ligand
BDBM26786
Substrate
Fluorescent Substrate
Meas. Tech.
Enzyme Inhibition Assay
pH
4.5±n/a
Temperature
295.15±n/a K
IC50
4±n/a nM
Citation
 Beswick, PCharrier, NClarke, BDemont, EDingwall, CDunsdon, RFaller, AGleave, RHawkins, JHussain, IJohnson, CNMacPherson, DMaile, GMatico, RMilner, PMosley, JNaylor, AO'Brien, ARedshaw, SRiddell, DRowland, PSkidmore, JSoleil, VSmith, KJStanway, SStemp, GStuart, ASweitzer, STheobald, PVesey, DWalter, DSWard, JWayne, G BACE-1 inhibitors part 3: identification of hydroxy ethylamines (HEAs) with nanomolar potency in cells. Bioorg Med Chem Lett 18:1022-6 (2008) [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:
BDBM26786
Synonyms:
3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-2-fluoro-N-[(2S,3R)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]benzamide | hydroxy ethylamine (HEA), 21
Type:
Small organic molecule
Emp. Form.:
C31H39FN4O5S
Mol. Mass.:
598.729
SMILES:
CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorescent Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2030.30
Organism:
n/a
Description:
n/a
Residue:
18
Sequence:
FAMSEVNLDAEFKTAMRA