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Target
Beta-secretase 1
Ligand
BDBM50231474
Substrate
n/a
Meas. Tech.
ChEMBL_462005 (CHEMBL944848)
IC50
2000±n/a nM
Citation
 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets. Bioorg Med Chem Lett 18:1063-6 (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:
BDBM50231474
Synonyms:
CHEMBL252626 | N-{2-[2-(2-chloro-phenyl)-5-(4-fluoro-phenyl)-pyrrol-1-yl]-acetyl}-guanidine
Type:
Small organic molecule
Emp. Form.:
C19H16ClFN4O
Mol. Mass.:
370.808
SMILES:
NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccc(F)cc1
Structure:
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