BDBM345080 2-(1-((4-carboxyphenyl)amino)-1-oxo-3-phenylpropan-2-yl)-5-(3-chloro-2,6-difluorophenyl)-4-methylpyridine 1-oxide (Example 25) and 6-(1-((4-carboxyphenyl)amino)-1-oxo-3-phenylpropan-2-yl)-3-(3-chloro-2,6-difluorophenyl)-2-methylpyridine 1-oxide (Example 26)::US9783530, 25

SMILES Cc1cc(C(Cc2ccccc2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)ccc(Cl)c1F

InChI Key InChIKey=YWOOOSNQCNIOEJ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 345080   

TargetKallikrein-1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345080(2-(1-((4-carboxyphenyl)amino)-1-oxo-3-phenylpropan...)
Affinity DataIC50:  42.3nMAssay 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
LigandPNGBDBM345080(2-(1-((4-carboxyphenyl)amino)-1-oxo-3-phenylpropan...)
Affinity DataIC50:  8.32nMAssay 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