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Target
Beta-secretase 1 [1-460]
Ligand
BDBM136853
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
13.0±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:
BDBM136853
Synonyms:
US10231967, Example 90 | US8865911, 90 | US9918985, Example 90
Type:
Small organic molecule
Emp. Form.:
C24H27N3O
Mol. Mass.:
373.4907
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccccc2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-3.04,;6.44,-1.7,;4.9,-1.7,;4.13,-.37,;2.59,-.37,;1.82,-1.7,;.92,-2.95,;-.55,-2.47,;-1.88,-3.24,;-3.21,-2.47,;-3.21,-.93,;-1.88,-.16,;-.55,-.93,;.92,-.46,;-.33,.45,;.15,1.91,;-.62,3.24,;1.69,1.91,;2.46,3.24,;2.16,.45,;-4.55,-.16,;-5.88,-.93,;-7.21,-.16,;-7.21,1.38,;-5.88,2.15,;-4.55,1.38,;2.59,-3.04,;4.13,-3.04,)|
Structure:
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