BDBM199111 US9221839, 6c

SMILES CN1C(=N)N[C@@]2(COC[C@@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F

InChI Key InChIKey=IQUBPELHSBAKON-KSSFIOAISA-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 = 199111   

TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM199111(US9221839, 6c)
Affinity DataKi:  858nM ΔG°:  -8.41kcal/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-EISE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM199111(US9221839, 6c)
Affinity DataKi:  999nM ΔG°:  -8.32kcal/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 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent