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Target
Beta-secretase 1 [1-460]
Ligand
BDBM136851
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
2.80±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:
BDBM136851
Synonyms:
US10231967, Example 88 | US8865911, 88 | US9918985, Example 88
Type:
Small organic molecule
Emp. Form.:
C24H25F2N3O
Mol. Mass.:
409.4716
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(F)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.26,;7.11,-1.93,;5.57,-1.93,;4.8,-.59,;3.26,-.59,;2.49,-1.93,;1.59,-3.17,;.12,-2.7,;-1.21,-3.46,;-2.55,-2.7,;-2.55,-1.16,;-1.21,-.39,;.12,-1.16,;1.59,-.68,;.34,.23,;.82,1.69,;.05,3.02,;2.36,1.69,;3.13,3.02,;2.83,.23,;-3.88,-.39,;-5.21,-1.16,;-6.55,-.39,;-7.88,-1.16,;-6.55,1.15,;-5.21,1.92,;-5.21,3.46,;-3.88,1.15,;3.26,-3.26,;4.8,-3.26,)|
Structure:
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