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Target
Beta-secretase 1
Ligand
BDBM155141
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
2.5±n/a
IC50
392±n/a nM
Comments
extracted
Citation
 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L Cyclohexane-1,2′-naphthalene-1′,2″-imidazol compounds and their use as BACE inhibitors US Patent  US9000184 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:
BDBM155141
Synonyms:
US9000184, 10, isomer 2
Type:
Small organic molecule
Emp. Form.:
C26H27ClN4O
Mol. Mass.:
446.972
SMILES:
CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wD:5.8,2.1,c:24,t:20,(8.59,-3.66,;7.82,-2.32,;6.28,-2.32,;5.51,-.99,;3.97,-.99,;3.2,-2.32,;3.97,-3.66,;5.51,-3.66,;2.8,-3.81,;1.32,-4.21,;.23,-3.12,;-1.26,-3.52,;-2.35,-2.43,;-1.95,-.94,;-.46,-.54,;.63,-1.63,;2.11,-1.23,;.87,-.33,;1.34,1.13,;.57,2.47,;2.88,1.13,;3.65,2.47,;3.36,-.33,;-3.04,.15,;-2.64,1.63,;-3.73,2.72,;-3.33,4.21,;-5.22,2.32,;-5.62,.84,;-4.53,-.25,;-7.1,.44,;-8.59,.04,)|
Structure:
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