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Target
Beta-secretase 1
Ligand
BDBM50311848
Substrate
n/a
Meas. Tech.
ChEMBL_619925 (CHEMBL1113136)
IC50
4800±n/a nM
Citation
 Yi Mok, N; Chadwick, J; Kellett, KA; Hooper, NM; Johnson, AP; Fishwick, CW Discovery of novel non-peptide inhibitors of BACE-1 using virtual high-throughput screening. Bioorg Med Chem Lett 19:6770-4 (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:
BDBM50311848
Synonyms:
CHEMBL1080086 | N-cyclohexyl-2-(3-(2-(2-hydroxy-5-nitrobenzoyl)hydrazono)-2-oxoindolin-1-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C23H23N5O6
Mol. Mass.:
465.4586
SMILES:
Oc1ccc(cc1C(=O)NN=C1C(=O)N(CC(=O)NC2CCCCC2)c2ccccc12)[N+]([O-])=O |w:10.10|
Structure:
Search PDB for entries with ligand similarity: