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Target
Beta-secretase 1
Ligand
BDBM155110
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
2.5±n/a
IC50
250±n/a nM
Comments
extracted
Citation
 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L 2H-imidazol-4-amine compounds and their use as BACE inhibitors US Patent  US9000182 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:
BDBM155110
Synonyms:
US9000182, 17
Type:
Small organic molecule
Emp. Form.:
C23H32FN3O2
Mol. Mass.:
401.5175
SMILES:
CC(C)O[C@H]1CC[C@@]2(Cc3ccc(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:7.7,4.3,c:27,t:23,(6.45,-4.36,;7.54,-3.27,;9.03,-3.67,;7.14,-1.78,;5.65,-1.39,;5.25,.1,;3.77,.5,;2.68,-.59,;1.77,-1.83,;.31,-1.36,;-1.02,-2.13,;-2.36,-1.36,;-2.36,.18,;-3.69,.95,;-5.03,.18,;-6.36,.95,;-7.69,.18,;-9.03,.95,;-1.02,.95,;.31,.18,;1.77,.66,;.53,1.56,;1,3.03,;.23,4.36,;2.54,3.03,;3.31,4.36,;3.02,1.56,;3.08,-2.08,;4.56,-2.47,)|
Structure:
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