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Target
Beta-secretase 1
Ligand
BDBM214844
Substrate
n/a
Meas. Tech.
In Vitro BACE Cell-Based Assay
Temperature
310.15±n/a K
IC50
0.5±n/a nM
Comments
extracted
Citation
 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Perfluorinated 5,6-dihydro-4H-1,3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use US Patent  US9296734 Publication Date 3/29/2016 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1)
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Homo sapiens (Human)
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM214844
Synonyms:
US9296734, 45
Type:
Small organic molecule
Emp. Form.:
C20H17F4N5O3
Mol. Mass.:
451.3743
SMILES:
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,c:6|
Structure:
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