Target
Beta-secretase 1
Ligand
BDBM50491223
Substrate
n/a
Meas. Tech.
ChEMBL_960199 (CHEMBL2382571)
IC50
320±n/a nM
Citation
 Ginman, TViklund, JMalmström, JBlid, JEmond, RForsblom, RJohansson, AKers, ALake, FSehgelmeble, FSterky, KJBergh, MLindgren, AJohansson, PJeppsson, FFälting, JGravenfors, YRahm, F Core refinement toward permeable ?-secretase (BACE-1) inhibitors with low hERG activity. J Med Chem 56:4181-205 (2013) [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:
BDBM50491223
Synonyms:
CHEMBL2380459
Type:
Small organic molecule
Emp. Form.:
C23H23N3O2
Mol. Mass.:
373.4476
SMILES:
COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 |c:5|
Structure:
Search PDB for entries with ligand similarity: