BDBM345095 4-[(2-{5-[2- (aminomethyl)-5- chlorophenyl]-1- oxidopyridin-2-yl}-3- cyclopropylpropanoyl) amino]benzoic acid::US9783530, 40

SMILES NCc1ccc(Cl)cc1-c1ccc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])c1

InChI Key InChIKey=GNCUTTWZMFEVGW-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345095   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345095(4-[(2-{5-[2- (aminomethyl)-5- chlorophenyl]-1- oxi...)
Affinity DataIC50: 30.6nMAssay 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
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TargetKallikrein-1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345095(4-[(2-{5-[2- (aminomethyl)-5- chlorophenyl]-1- oxi...)
Affinity DataIC50: 1.88E+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
In Depth
Date in BDB:
8/19/2019
Entry Details
Go to US Patent