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Target
Beta-secretase 1 [1-460]
Ligand
BDBM136912
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
28.0±n/a nM
Citation
 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S Compounds and their use as BACE inhibitors US Patent  US9918985 Publication Date 3/20/2018 
Target
Name:
Beta-secretase 1 [1-460]
Synonyms:
BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE1) | Beta-secretase 1 (aa 1-460) | KIAA1149
Type:
Protein
Mol. Mass.:
50987.78
Organism:
Homo sapiens (Human)
Description:
P56817[1-460]
Residue:
460
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAY
  
Inhibitor
Name:
BDBM136912
Synonyms:
US10231967, Example 134 | US8865911, 134 | US9918985, Example 134
Type:
Small organic molecule
Emp. Form.:
C27H28F2N4O
Mol. Mass.:
462.5342
SMILES:
CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1 |r,wD:6.6,3.2,c:21,t:17,(9.32,-3.64,;7.78,-3.64,;7.01,-2.31,;5.47,-2.31,;4.7,-.98,;3.16,-.98,;2.39,-2.31,;1.48,-3.56,;.02,-3.08,;-1.32,-3.85,;-2.65,-3.08,;-2.65,-1.54,;-1.32,-.77,;.02,-1.54,;1.48,-1.06,;.24,-.16,;.71,1.31,;-.06,2.64,;2.25,1.31,;3.02,2.64,;2.73,-.16,;-3.98,-.77,;-5.32,-1.54,;-6.65,-.77,;-6.65,.77,;-5.32,1.54,;-3.98,.77,;-5.32,3.08,;-6.65,3.85,;-3.98,3.85,;-7.98,-1.54,;-9.32,-2.31,;3.16,-3.64,;4.7,-3.64,)|
Structure:
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