BDBM345084 4-({2-[5-(3-chloro-6- cyano-2-fluorophenyl)-1- oxidopyridin-2-yl]-3- cyclopropylpropanoyl} amino)benzoic acid::US9783530, 29::US9783530, 30

SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C#N)cc1

InChI Key InChIKey=MHOQUZPCDSCDEH-UHFFFAOYSA-N

Data  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 345084   

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

US Patent
LigandPNGBDBM345084(4-({2-[5-(3-chloro-6- cyano-2-fluorophenyl)-1- oxi...)
Affinity DataIC50:  458nMAssay 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
LigandPNGBDBM345084(4-({2-[5-(3-chloro-6- cyano-2-fluorophenyl)-1- oxi...)
Affinity DataIC50:  80.4nMAssay 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
LigandPNGBDBM345084(4-({2-[5-(3-chloro-6- cyano-2-fluorophenyl)-1- oxi...)
Affinity DataIC50:  4.24nMAssay 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