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Target
Beta-secretase 1
Ligand
BDBM50346134
Substrate
n/a
Meas. Tech.
ChEMBL_750653 (CHEMBL1785499)
IC50
21000±n/a nM
Citation
 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay. Bioorg Med Chem Lett 19:3188-92 (2009) [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:
BDBM50346134
Synonyms:
2-(4-methyl-5-(2-oxo-2-(4-phenylthiazol-2-ylamino)ethylthio)-4H-1,2,4-triazol-3-yl)-N-p-tolylacetamide | CHEMBL1782318
Type:
Small organic molecule
Emp. Form.:
C23H22N6O2S2
Mol. Mass.:
478.59
SMILES:
Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(cs3)-c3ccccc3)n2C)cc1
Structure:
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