Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM155126
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
2.5±n/a
IC50
39±n/a nM
Comments
extracted
Citation
 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L Cyclohexane-1,2′-indene-1′,2″-imidazol compounds and their use as BACE inhibitors US Patent  US9000183 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:
BDBM155126
Synonyms:
US9000183, 10
Type:
Small organic molecule
Emp. Form.:
C21H27F2N3O2
Mol. Mass.:
391.4548
SMILES:
CO[C@H]1CC[C@@]2(Cc3cc(F)c(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:26,t:22,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-3.21,-3.24,;-1.88,-.93,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;3.93,-3.04,;5.47,-3.04,)|
Structure:
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