BDBM345097 4-{[2-(5-{5-chloro-2-[4- (hydroxymethyl)-1H-1,2,3- triazol-1-yl]phenyl}-1- oxidopyridin-2-yl)-3- cyclopropylpropanoyl] amino}benzoic acid::US9783530, 42

SMILES OCc1cn(nn1)-c1ccc(Cl)cc1-c1ccc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])c1

InChI Key InChIKey=HIIGXLGOHSTXQX-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345097   

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

US Patent
LigandPNGBDBM345097(4-{[2-(5-{5-chloro-2-[4- (hydroxymethyl)-1H-1,2,3-...)
Affinity DataIC50:  1.61E+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
LigandPNGBDBM345097(4-{[2-(5-{5-chloro-2-[4- (hydroxymethyl)-1H-1,2,3-...)
Affinity DataIC50:  8.45nMAssay 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