Reaction Details Report a problem with these data
Target
Beta-secretase 1 [1-460]
Ligand
BDBM307699
Substrate
n/a
Meas. Tech.
TR-FRET Assay
IC50
1970±n/a nM
Citation
 Minidis, A; Rahm, F; Viklund, J Mono-fluoro beta-secretase inhibitors US Patent  US9650336 Publication Date 5/16/2017 
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:
BDBM307699
Synonyms:
US9650336, Example 2
Type:
Small organic molecule
Emp. Form.:
C22H23FN4O
Mol. Mass.:
378.4426
SMILES:
CO[C@H]1CC[C@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncnc2)CC1 |r,wU:2.1,wD:5.5,c:20,t:16,(7.21,-3.1,;6.44,-1.77,;4.9,-1.77,;4.13,-3.1,;2.59,-3.1,;1.82,-1.77,;.92,-3.01,;-.55,-2.54,;-1.88,-3.31,;-3.21,-2.54,;-3.21,-1,;-1.88,-.23,;-.55,-1,;.92,-.52,;2.38,-.04,;2.38,1.5,;3.72,2.27,;.92,1.97,;.15,3.31,;.01,.73,;-4.55,-.23,;-4.55,1.31,;-5.88,2.08,;-7.21,1.31,;-7.21,-.23,;-5.88,-1,;2.59,-.43,;4.13,-.43,)|
Structure:
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