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Target
Beta-secretase 1 [1-458]
Ligand
BDBM195169
Substrate
n/a
Meas. Tech.
BACE Enzyme Assay (Ex.435)
pH
4.4±n/a
IC50
144.7±n/a nM
Comments
extracted
Citation
 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Inhibitors of beta-secretase US Patent  US9212153 Publication Date 12/15/2015 
Target
Name:
Beta-secretase 1 [1-458]
Synonyms:
BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (aa 1-458) | KIAA1149
Type:
n/a
Mol. Mass.:
50753.53
Organism:
Homo sapiens (Human)
Description:
Truncation 1-458 aa with His-tag at C-terminus
Residue:
458
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTI
  
Inhibitor
Name:
BDBM195169
Synonyms:
US9212153, 232,Ex. 189
Type:
Small organic molecule
Emp. Form.:
C22H30N4O2
Mol. Mass.:
382.4992
SMILES:
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)N2CCCC2)CC1 |t:16,(4.88,-15.14,;3.39,-15.54,;2.62,-14.2,;1.29,-14.97,;.19,-13.83,;-1.3,-13.52,;-2.21,-14.76,;-3.67,-14.29,;-5,-15.06,;-6.34,-14.29,;-6.34,-12.75,;-5,-11.98,;-3.67,-12.75,;-2.21,-12.27,;-3.45,-11.36,;-2.98,-9.9,;-3.75,-8.57,;-1.44,-9.9,;-.67,-8.57,;-.96,-11.36,;.37,-12.13,;-7.67,-11.98,;-7.67,-10.44,;-9.14,-9.96,;-10.04,-11.21,;-9.14,-12.45,;.03,-12.75,;1.13,-13.83,)|
Structure:
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