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Target
Beta-secretase 1
Ligand
BDBM50164506
Substrate
n/a
Meas. Tech.
ChEMBL_1574684 (CHEMBL3801551)
IC50
361±n/a nM
Citation
 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Structure-Based Design of an Iminoheterocyclicß-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central Aß in Nonhuman Primates. J Med Chem 59:3231-48 (2016) [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:
BDBM50164506
Synonyms:
CHEMBL3799339
Type:
Small organic molecule
Emp. Form.:
C19H20FN7O2S
Mol. Mass.:
429.471
SMILES:
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(s1)C#N)c1nc(C)c(F)c(OCC)n1 |r|
Structure:
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