BDBM259045 US9499502, 9ds-a

SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F

InChI Key InChIKey=GTUNULWCWIOILM-GOTSBHOMSA-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 = 259045   

TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM259045(US9499502, 9ds-a)
Affinity DataKi:  3.5nM ΔG°:  -11.7kcal/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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM259045(US9499502, 9ds-a)
Affinity DataKi: <10nM ΔG°: <-11.1kcal/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
Ligand InfoPC cidPC sid
In DepthDetails US Patent