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Target
Beta-secretase 1
Ligand
BDBM50259973
Substrate
n/a
Meas. Tech.
ChEMBL_1692055 (CHEMBL4042704)
IC50
18±n/a nM
Citation
 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J Med Chem 60:386-402 (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:
BDBM50259973
Synonyms:
CHEMBL4098403
Type:
Small organic molecule
Emp. Form.:
C16H18F5N3S
Mol. Mass.:
379.391
SMILES:
C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F |r,c:6|
Structure:
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