Reaction Details Report a problem with these data
Target
Beta-secretase 1 [1-458]
Ligand
BDBM195200
Substrate
n/a
Meas. Tech.
BACE Enzyme Assay (Ex.435)
pH
4.4±n/a
IC50
634.1±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:
BDBM195200
Synonyms:
US9212153, 265,Ex. 218
Type:
Small organic molecule
Emp. Form.:
C24H26BrN3O
Mol. Mass.:
452.387
SMILES:
CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCC(Cc2ccccc2)CC1 |c:3,(-1.1,3.61,;-1.87,2.28,;-3.41,2.28,;-4.18,3.61,;-3.89,.81,;-2.64,-.09,;-1.4,.81,;.09,.41,;-3.89,-1,;-5.4,-.68,;-6.43,-1.82,;-7.91,-1.43,;-5.95,-3.29,;-4.44,-3.61,;-3.41,-2.46,;-1.87,-2.46,;-1.4,-1,;.1,-1.37,;1.19,-2.46,;2.52,-1.69,;3.29,-.35,;4.83,-.35,;5.6,-1.69,;7.14,-1.69,;7.91,-.35,;7.14,.98,;5.6,.98,;1.03,-1.37,;-.06,-.23,)|
Structure:
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