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Target
Beta-secretase 1 [1-458]
Ligand
BDBM195073
Substrate
n/a
Meas. Tech.
BACE Enzyme Assay (Ex.435)
pH
4.4±n/a
IC50
24.9±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:
BDBM195073
Synonyms:
US9212153, 132,Ex. 97
Type:
Small organic molecule
Emp. Form.:
C21H27N3O4
Mol. Mass.:
385.4568
SMILES:
COC1CCC2(CC1)Oc1ccc(OCC3CC3)cc1C21N=C(N)N(C)C1=O |t:25,(5.64,-7.01,;4.3,-7.78,;2.97,-7.01,;1.88,-8.1,;.54,-7.34,;-1,-7.34,;.09,-6.25,;1.43,-7.01,;-1.9,-8.58,;-3.37,-8.11,;-4.7,-8.88,;-6.03,-8.11,;-6.03,-6.57,;-7.37,-5.8,;-8.7,-6.57,;-10.03,-5.8,;-10.8,-4.47,;-11.57,-5.8,;-4.7,-5.8,;-3.37,-6.57,;-1.9,-6.09,;-3.15,-5.19,;-2.67,-3.72,;-3.44,-2.39,;-1.13,-3.72,;-.36,-2.39,;-.65,-5.19,;.68,-5.96,)|
Structure:
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