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Target
Beta-secretase 1 [1-458]
Ligand
BDBM195086
Substrate
n/a
Meas. Tech.
BACE Enzyme Assay (Ex.434)
pH
4.5±n/a
Temperature
298.15±n/a K
IC50
7.3±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:
BDBM195086
Synonyms:
US10336717, Compound 135 | US9212153, 135,Ex. 100
Type:
Small organic molecule
Emp. Form.:
C26H28N4O2
Mol. Mass.:
428.5261
SMILES:
CCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)-c1cccc(c1)C#N |c:4,(6.63,-2.98,;5.3,-2.21,;3.97,-2.98,;2.5,-2.51,;1.73,-1.17,;1.6,-3.75,;2.5,-5,;3.97,-4.52,;5.51,-4.52,;1.04,-5.47,;-.3,-4.7,;-1.63,-5.47,;-1.63,-7.01,;-.3,-7.78,;1.04,-7.01,;2.5,-7.49,;3.41,-6.24,;4.95,-6.24,;6.29,-7.01,;7.37,-5.92,;5.84,-5.92,;4.5,-5.15,;8.71,-6.69,;10.04,-5.92,;-2.96,-4.7,;-2.96,-3.16,;-4.3,-2.39,;-5.63,-3.16,;-5.63,-4.7,;-4.3,-5.47,;-6.96,-5.47,;-8.3,-6.24,)|
Structure:
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