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Target
Beta-secretase 1
Ligand
BDBM16753
Substrate
BACE Peptide Substrate
Meas. Tech.
FRET-based Peptide Cleavage Assay
pH
4.5±n/a
Temperature
295.15±n/a K
IC50
160±10 nM
Citation
 Cole, DC; Manas, ES; Stock, JR; Condon, JS; Jennings, LD; Aulabaugh, A; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jin, G; Lin, L; Lovering, FE; Malamas, MS; Stahl, ML; Strand, J; Sukhdeo, MN; Svenson, K; Turner, MJ; Wagner, E; Wu, J; Zhou, P; Bard, J Acylguanidines as small-molecule beta-secretase inhibitors. J Med Chem 49:6158-61 (2006) [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:
BDBM16753
Synonyms:
2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl]-1H-pyrrol-1-yl]-N-(diaminomethylidene)acetamide | Acylguanidine, 7c | CHEMBL253237 | N-{2-[2-[4-(4-Acetyl-phenoxy)-phenyl]-5-(2-chloro-phenyl)-pyrrol-1-yl]-acetyl}-guanidine
Type:
Small organic molecule
Emp. Form.:
C27H23ClN4O3
Mol. Mass.:
486.95
SMILES:
CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3Cl)n2CC(=O)NC(N)=N)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BACE Peptide Substrate
Synonyms:
Swedish substrate
Type:
Peptide
Mol. Mass.:
1530.57
Organism:
n/a
Description:
n/a
Residue:
14
Sequence:
ASEVNLDAEFRDPA