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Target
Beta-secretase 1 [1-460]
Ligand
BDBM136871
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
1.30±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:
BDBM136871
Synonyms:
US10231967, Example 108 | US8865911, 108 | US9918985, Example 108
Type:
Small organic molecule
Emp. Form.:
C25H23ClF2N4O
Mol. Mass.:
468.926
SMILES:
CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(Cl)cc(c1)C#N |r,wD:14.15,17.23,c:4,t:1,(-.06,3.59,;.71,2.25,;.24,.79,;1.48,-.12,;2.73,.79,;2.25,2.25,;3.02,3.59,;.02,-.59,;-1.32,.18,;-2.65,-.59,;-2.65,-2.13,;-1.32,-2.9,;.02,-2.13,;1.48,-2.61,;2.39,-1.36,;3.16,-.03,;4.7,-.03,;5.47,-1.36,;4.7,-2.69,;3.16,-2.69,;7.01,-1.36,;7.78,-2.69,;9.32,-2.69,;7.01,-4.03,;-3.98,.18,;-3.98,1.72,;-5.32,2.49,;-5.32,4.03,;-6.65,1.72,;-6.65,.18,;-5.32,-.59,;-7.98,-.59,;-9.32,-1.36,)|
Structure:
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