BDBM345078 2-(1-((4-Carboxyphenyl)amino)-1-oxo-3-phenylpropan-2-yl)-5-(5-chloro-2-cyanophenyl)-4-methoxypyridine 1-oxide (Examples 23 and 24)::US9783530, 23::US9783530, 24

SMILES COc1cc(C(Cc2ccccc2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1cc(Cl)ccc1C#N

InChI Key InChIKey=CZUOCGQPWJDNLG-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 345078   

TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345078(2-(1-((4-Carboxyphenyl)amino)-1-oxo-3-phenylpropan...)
Affinity DataIC50:  9.39nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKallikrein-1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345078(2-(1-((4-Carboxyphenyl)amino)-1-oxo-3-phenylpropan...)
Affinity DataIC50:  0.700nMAssay Description:Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345078(2-(1-((4-Carboxyphenyl)amino)-1-oxo-3-phenylpropan...)
Affinity DataIC50:  0.290nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKallikrein-1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345078(2-(1-((4-Carboxyphenyl)amino)-1-oxo-3-phenylpropan...)
Affinity DataIC50:  24.6nMAssay Description:Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent