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Target
Beta-secretase 1
Ligand
BDBM50226444
Substrate
n/a
Meas. Tech.
ChEMBL_451976 (CHEMBL901134)
IC50
51000±n/a nM
Citation
 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency. J Med Chem 50:5912-25 (2007) [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:
BDBM50226444
Synonyms:
6-(3-(1H-pyrrol-2-yl)phenethyl)-2-amino-3-methylpyrimidin-4(3H)-one | CHEMBL396830
Type:
Small organic molecule
Emp. Form.:
C17H18N4O
Mol. Mass.:
294.351
SMILES:
Cn1c(N)nc(CCc2cccc(c2)-c2ccc[nH]2)cc1=O
Structure:
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