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Target
Beta-secretase 1
Ligand
BDBM155134
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
2.5±n/a
IC50
587±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:
BDBM155134
Synonyms:
US9000184, 6, isomer 2
Type:
Small organic molecule
Emp. Form.:
C27H30N4O2
Mol. Mass.:
442.5527
SMILES:
CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N |r,wU:2.1,wD:5.8,c:24,t:20,(8.59,-3.86,;7.82,-2.52,;6.28,-2.52,;5.51,-3.86,;3.97,-3.86,;3.2,-2.52,;3.97,-1.19,;5.51,-1.19,;2.8,-4.01,;1.32,-4.41,;.23,-3.32,;-1.26,-3.72,;-2.35,-2.63,;-1.95,-1.14,;-.46,-.74,;.63,-1.83,;2.11,-1.43,;.87,-.53,;1.34,.94,;.57,2.27,;2.88,.94,;3.65,2.27,;3.36,-.53,;-3.04,-.05,;-2.64,1.43,;-3.73,2.52,;-3.33,4.01,;-1.84,4.41,;-5.22,2.12,;-5.62,.64,;-4.53,-.45,;-7.1,.24,;-8.59,-.16,)|
Structure:
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