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Target
Beta-secretase 1 [1-460]
Ligand
BDBM136911
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
25.0±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:
BDBM136911
Synonyms:
US10231967, Example 133 | US8865911, 133 | US9918985, Example 133
Type:
Small organic molecule
Emp. Form.:
C24H27ClN4O
Mol. Mass.:
422.95
SMILES:
CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-3.26,;6.44,-3.26,;5.67,-1.93,;4.13,-1.93,;3.36,-.59,;1.82,-.59,;1.05,-1.93,;.15,-3.17,;-1.32,-2.7,;-2.65,-3.47,;-3.98,-2.7,;-3.98,-1.16,;-2.65,-.39,;-1.32,-1.16,;.15,-.68,;-.76,.57,;.15,1.81,;-.62,3.15,;1.61,1.34,;2.95,2.11,;1.61,-.2,;-5.32,-.39,;-6.65,-1.16,;-7.98,-.39,;-7.98,1.15,;-6.65,1.93,;-6.65,3.47,;-5.32,1.15,;1.82,-3.26,;3.36,-3.26,)|
Structure:
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