Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM155143
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
2.5±n/a
IC50
>5000±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:
BDBM155143
Synonyms:
US9000184, 11, isomer 2
Type:
Small organic molecule
Emp. Form.:
C26H27ClN4O
Mol. Mass.:
446.972
SMILES:
CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1[C@@]21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wU:16.19,wD:2.1,5.8,c:24,t:20,(8.7,-2.49,;7.93,-1.16,;6.39,-1.16,;5.62,.18,;4.08,.18,;3.31,-1.16,;4.08,-2.49,;5.62,-2.49,;3.31,-2.69,;1.97,-3.47,;.64,-2.7,;-.69,-3.47,;-2.03,-2.69,;-2.03,-1.15,;-.69,-.38,;.64,-1.15,;1.97,-.38,;.73,.52,;1.2,1.98,;.43,3.32,;2.74,1.98,;3.51,3.32,;3.22,.52,;-3.36,-.38,;-3.36,1.15,;-4.7,1.93,;-4.7,3.47,;-6.03,1.15,;-6.03,-.38,;-4.7,-1.15,;-7.36,-1.15,;-8.7,-1.93,)|
Structure:
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