BDBM258968 US9499502, 9bs

SMILES C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccno2)cc(F)c1F

InChI Key InChIKey=HGCVJIPWAJOPOR-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 = 258968   

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM258968(US9499502, 9bs)
Affinity DataKi:  171nM ΔG°:  -9.38kcal/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

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM258968(US9499502, 9bs)
Affinity DataKi:  2.53E+3nM ΔG°:  -7.76kcal/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