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Target
Beta-secretase 1
Ligand
BDBM142369
Substrate
n/a
Meas. Tech.
ChEMBL_1470724 (CHEMBL3420730)
IC50
265±n/a nM
Citation
 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Discovery of a series of efficient, centrally efficacious BACE1 inhibitors through structure-based drug design. J Med Chem 58:2678-702 (2015) [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:
BDBM142369
Synonyms:
US8933221, 10
Type:
Small organic molecule
Emp. Form.:
C13H14F2N2OS
Mol. Mass.:
284.325
SMILES:
NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1F |r,t:1|
Structure:
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