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Target
Beta-secretase 1 [1-458]
Ligand
BDBM195492
Substrate
n/a
Meas. Tech.
BACE Enzyme Assay (Ex.435)
pH
4.4±n/a
IC50
9.5±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:
BDBM195492
Synonyms:
US9212153, 207,Ex. 167
Type:
Small organic molecule
Emp. Form.:
C22H26N4O2S
Mol. Mass.:
410.532
SMILES:
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cnc(C)s2)CC1 |t:16,(3.7,3.51,;2.37,2.74,;1.04,3.51,;-.07,2.44,;-1.39,3.25,;-2.93,3.25,;-3.83,2,;-5.3,2.48,;-6.63,1.71,;-7.96,2.48,;-7.96,4.02,;-6.63,4.79,;-5.3,4.02,;-3.83,4.49,;-5.08,5.4,;-4.69,6.92,;-5.61,8.16,;-3.06,6.86,;-2.29,8.2,;-2.59,5.4,;-1.1,5,;-9.3,4.79,;-9.62,6.3,;-11.15,6.46,;-11.78,5.05,;-13.32,5.05,;-10.63,4.02,;-1.82,4.32,;-.5,3.51,)|
Structure:
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