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Target
Beta-secretase 1
Ligand
BDBM136828
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
9.2±n/a
IC50
401±n/a nM
Comments
extracted
Citation
 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S Compounds and their use as BACE inhibitors US Patent  US8865911 Publication Date 10/21/2014 
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:
BDBM136828
Synonyms:
US10231967, Example 64 | US8865911, 64 | US9918985, Example 64
Type:
Small organic molecule
Emp. Form.:
C19H24BrN3O
Mol. Mass.:
390.317
SMILES:
CCC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC |r,wD:16.17,19.25,c:5,t:2,(-3.49,3.24,;-1.95,3.24,;-1.18,1.91,;-1.66,.45,;-.41,-.46,;.83,.45,;.36,1.91,;1.13,3.24,;-1.88,-.93,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-4.55,-2.47,;-3.21,-3.24,;-1.88,-2.47,;-.41,-2.95,;.49,-1.7,;1.26,-.37,;2.8,-.37,;3.57,-1.7,;2.8,-3.04,;1.26,-3.04,;5.11,-1.7,;5.88,-3.04,)|
Structure:
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