BDBM259206 US9499502, 31

SMILES COc1ccc(cc1)C#Cc1ccc(F)c(n1)C1(C)CS(=O)(=O)C(C)(C)C(=N)N1

InChI Key InChIKey=UTMBRSJWJLJSRI-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 259206   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM259206(US9499502, 31)
Affinity DataKi:  5.00E+3nM ΔG°:  -7.35kcal/molepH: 5.0 T: 2°CAssay Description:Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2017
Entry Details
US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM259206(US9499502, 31)
Affinity DataKi:  7.03E+3nM ΔG°:  -7.14kcal/molepH: 5.0 T: 2°CAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2017
Entry Details
US Patent