BDBM143227 US8940748, 52::US9029362, 52::US9687494, 52

SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1

InChI Key InChIKey=VKVMIZCLMUKTTA-KRWDZBQOSA-N

Data  6 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 143227   

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

US Patent
LigandPNGBDBM143227(US8940748, 52 | US9029362, 52 | US9687494, 52)
Affinity DataKi:  0.370nM ΔG°:  -13.1kcal/molepH: 5.0 T: 2°CAssay Description:Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM143227(US8940748, 52 | US9029362, 52 | US9687494, 52)
Affinity DataKi:  0.370nM ΔG°:  -13.1kcal/molepH: 5.0 T: 2°CAssay Description:Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM143227(US8940748, 52 | US9029362, 52 | US9687494, 52)
Affinity DataKi:  2.39nMpH: 5.01Assay Description:The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM143227(US8940748, 52 | US9029362, 52 | US9687494, 52)
Affinity DataKi:  2.39nM ΔG°:  -12.0kcal/molepH: 5.0 T: 2°CAssay Description:A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM143227(US8940748, 52 | US9029362, 52 | US9687494, 52)
Affinity DataKi:  370nMpH: 5.0Assay Description:This assay monitored the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM143227(US8940748, 52 | US9029362, 52 | US9687494, 52)
Affinity DataKi:  2.39E+3nMpH: 5.0Assay Description:This assay monitored the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB