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
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 345078   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345078(US9783530, 23 | 2-(1-((4-Carboxyphenyl)amino)-1-ox...)
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
In Depth
Date in BDB:
8/19/2019
Entry Details
Go to US Patent

TargetKallikrein-1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345078(US9783530, 23 | 2-(1-((4-Carboxyphenyl)amino)-1-ox...)
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
In Depth
Date in BDB:
8/19/2019
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345078(US9783530, 23 | 2-(1-((4-Carboxyphenyl)amino)-1-ox...)
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
In Depth
Date in BDB:
8/19/2019
Entry Details
Go to US Patent

TargetKallikrein-1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345078(US9783530, 23 | 2-(1-((4-Carboxyphenyl)amino)-1-ox...)
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
In Depth
Date in BDB:
8/19/2019
Entry Details
Go to US Patent