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Target
Beta-secretase 1
Ligand
BDBM155114
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
2.5±n/a
IC50
6530±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:
BDBM155114
Synonyms:
US9000182, 21, isomer 2
Type:
Small organic molecule
Emp. Form.:
C25H26N4O
Mol. Mass.:
398.5001
SMILES:
CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@@]3(N=C(C)C(N)=N3)c2c1 |r,wU:21.29,wD:14.14,17.18,c:28,t:24,(-8.83,-2.54,;-7.5,-1.77,;-6.16,-1,;-4.83,-.23,;-4.83,1.31,;-3.49,2.08,;-2.16,1.31,;-2.16,-.23,;-3.49,-1,;-.83,-1,;-.83,-2.54,;.51,-3.31,;1.84,-2.54,;3.3,-3.01,;4.21,-1.77,;4.98,-.43,;6.52,-.43,;7.29,-1.77,;8.83,-1.77,;6.52,-3.1,;4.98,-3.1,;3.3,-.52,;2.4,.73,;3.3,1.97,;2.53,3.31,;4.77,1.5,;6.1,2.27,;4.77,-.04,;1.84,-1,;.51,-.23,)|
Structure:
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