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Target
Beta-secretase 1
Ligand
BDBM50329120
Substrate
n/a
Meas. Tech.
ChEMBL_674396 (CHEMBL1274725)
IC50
18000±n/a nM
Citation
 Xu, W; Chen, G; Zhu, W; Zuo, Z Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors. Bioorg Med Chem Lett 20:6203-7 (2010) [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:
BDBM50329120
Synonyms:
2-(6-(4,6-di(piperidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-(2,5-dimethoxyphenyl)acetamide | CHEMBL1269610
Type:
Small organic molecule
Emp. Form.:
C30H36N8O3S2
Mol. Mass.:
620.789
SMILES:
COc1ccc(OC)c(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCCC4)N4CCCCC4)cc3s2)c1
Structure:
Search PDB for entries with ligand similarity: