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Target
Beta-secretase 1 [1-460]
Ligand
BDBM136750
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
47.0±n/a nM
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  US9918985 Publication Date 3/20/2018 
Target
Name:
Beta-secretase 1 [1-460]
Synonyms:
BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE1) | Beta-secretase 1 (aa 1-460) | KIAA1149
Type:
Protein
Mol. Mass.:
50987.78
Organism:
Homo sapiens (Human)
Description:
P56817[1-460]
Residue:
460
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAY
  
Inhibitor
Name:
BDBM136750
Synonyms:
US10231967, Example 20j | US8865911, 20j | US9918985, Example 20j
Type:
Small organic molecule
Emp. Form.:
C23H25BrN6O2
Mol. Mass.:
497.388
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Br)cn4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:31,t:27,(9.48,-3.04,;8.71,-1.7,;7.17,-1.7,;6.4,-.37,;4.86,-.37,;4.09,-1.7,;3.18,-2.95,;1.72,-2.47,;.38,-3.24,;-.95,-2.47,;-.95,-.93,;-2.44,-.54,;-3.53,-1.63,;-3.13,-3.11,;-5.01,-1.23,;-5.41,.26,;-6.9,.66,;-7.99,-.43,;-9.48,-.03,;-7.59,-1.92,;-6.1,-2.32,;.38,-.16,;1.72,-.93,;3.18,-.46,;1.94,.45,;2.41,1.91,;1.64,3.24,;3.95,1.91,;4.72,3.24,;4.43,.45,;4.86,-3.04,;6.4,-3.04,)|
Structure:
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