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Target
Beta-secretase 1
Ligand
BDBM50250536
Substrate
n/a
Meas. Tech.
ChEMBL_1681840 (CHEMBL4032117)
IC50
90±n/a nM
Citation
 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J Med Chem 60:9807-9820 (2017) [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:
BDBM50250536
Synonyms:
CHEMBL4077530
Type:
Small organic molecule
Emp. Form.:
C21H33ClF2N2O4
Mol. Mass.:
450.948
SMILES:
Cl.[H][C@@]1(CO[C@@H](OCC(C)(C)C)[C@H](C)N1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
Structure:
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