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Target
Beta-secretase 1
Ligand
BDBM50061736
Substrate
n/a
Meas. Tech.
ChEMBL_1462007 (CHEMBL3396457)
IC50
1.000000±n/a nM
Citation
 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S An Orally Available BACE1 Inhibitor That Affords Robust CNS Aß Reduction without Cardiovascular Liabilities. ACS Med Chem Lett 6:210-5 (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:
BDBM50061736
Synonyms:
CHEMBL3394222
Type:
Small organic molecule
Emp. Form.:
C24H20F2N4O3
Mol. Mass.:
450.4374
SMILES:
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCCOC1)-c1cccnc1F |r,t:1|
Structure:
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