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Target
Beta-secretase 1
Ligand
BDBM155131
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
2.5±n/a
IC50
411±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:
BDBM155131
Synonyms:
US9000184, 5, isomer 1
Type:
Small organic molecule
Emp. Form.:
C19H24BrN3O
Mol. Mass.:
390.317
SMILES:
CO[C@H]1CC[C@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1 |r,wD:5.8,2.1,c:25,t:21,(6,.4,;4.67,1.17,;3.33,.4,;2,1.17,;.67,.4,;.67,-1.14,;2,-1.91,;3.33,-1.14,;.67,-2.68,;-.67,-3.45,;-2,-2.68,;-3.33,-3.45,;-4.67,-2.68,;-4.67,-1.14,;-6,-.37,;-3.33,-.37,;-2,-1.14,;-.67,-.37,;-2.13,.1,;-2.13,1.64,;-3.47,2.41,;-.67,2.12,;.1,3.45,;.24,.87,)|
Structure:
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