BDBM190809 US9181236, 76a (isomeric sample 1)::US9181236, 76b (isomeric sample 2)

SMILES C[C@]1(CS(=O)(=O)C2(CCC(O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F

InChI Key InChIKey=PAJSDOHDTCSASR-NAXCRDPKSA-N

Data  5 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 5 hits for monomerid = 190809   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM190809(US9181236, 76a (isomeric sample 1) | US9181236, 76...)
Affinity DataKi:  2.40nM ΔG°:  -11.9kcal/molepH: 5.0 T: 30°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
In DepthDetails US Patent

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM190809(US9181236, 76a (isomeric sample 1) | US9181236, 76...)
Affinity DataKi:  4nM ΔG°:  -11.6kcal/molepH: 5.0 T: 30°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
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM190809(US9181236, 76a (isomeric sample 1) | US9181236, 76...)
Affinity DataKi:  9.30nM ΔG°:  -11.1kcal/molepH: 5.0 T: 30°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 DepthDetails US Patent

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM190809(US9181236, 76a (isomeric sample 1) | US9181236, 76...)
Affinity DataKi: <50nM ΔG°: <-10.1kcal/molepH: 5.0 T: 30°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
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM190809(US9181236, 76a (isomeric sample 1) | US9181236, 76...)
Affinity DataKi:  104nM ΔG°:  -9.68kcal/molepH: 5.0 T: 30°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 DepthDetails US Patent