BDBM345093 4-[(2-{5-[5-chloro-2- (trifluoromethoxy)phenyl]- 1-oxidopyridin-2-yl}-3- cyclopropylpropanoyl) amino]benzoic acid::US9783530, 38::US9783530, 39

SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2OC(F)(F)F)cc1

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 345093   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345093(US9783530, 38 | US9783530, 39 | 4-[(2-{5-[5-chloro...)
Affinity DataIC50: 1.00E+3nMAssay 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

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345093(US9783530, 38 | US9783530, 39 | 4-[(2-{5-[5-chloro...)
Affinity DataIC50: 18.9nMAssay 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
LigandPNGBDBM345093(US9783530, 38 | US9783530, 39 | 4-[(2-{5-[5-chloro...)
Affinity DataIC50: 830nMAssay 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