BDBM345101 4-[(2-{5-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-1- oxidopyridin-2-yl}-3- cyclopropylpropanoyl) amino]-3-methylbenzoic acid::US9783530, 46::US9783530, 47

SMILES Cc1cc(ccc1NC(=O)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1)C(O)=O

InChI Key InChIKey=MIQLZLDMELQVTI-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 345101   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345101(US9783530, 46 | 4-[(2-{5-[5-chloro-2-(1H- tetrazol...)
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
LigandPNGBDBM345101(US9783530, 46 | 4-[(2-{5-[5-chloro-2-(1H- tetrazol...)
Affinity DataIC50: 15.1nMAssay 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
LigandPNGBDBM345101(US9783530, 46 | 4-[(2-{5-[5-chloro-2-(1H- tetrazol...)
Affinity DataIC50: 2.35E+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