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Target
Beta-secretase 1
Ligand
BDBM155149
Substrate
n/a
Meas. Tech.
Diluted TR-FRET Assay
pH
2.5±n/a
IC50
13±n/a nM
Comments
extracted
Citation
 Karlstrom, S; Soderman, P; Swahn, B; Rakos, L; Ohberg, L Cycloalkyl ether compounds and their use as BACE inhibitors US Patent  US9000185 Publication Date 4/7/2015 
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:
BDBM155149
Synonyms:
US9000185, 5
Type:
Small organic molecule
Emp. Form.:
C22H27F2N3O2
Mol. Mass.:
403.4655
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:28,t:24,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.98,-.16,;-7.21,1.17,;-7.98,2.5,;-6.44,2.5,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)|
Structure:
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