BDBM285898 7-(5-(5-carboxythiophen-2-yl)-4-chloro-1H-imidazol-2-yl)-3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine::US10081617, Example 46::US10081617, Example 47

SMILES CC(C)(C)OC(=O)Nc1ccc(Cl)cc1-c1cc2c([n+]([O-])c1)C(O)(c1nc(Cl)c(-c3ccc(C(=O)OC(C)(C)C)s3)[nH]1)CC2

InChI Key InChIKey=AVPYOXRLGAVWNR-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 = 285898   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 285898BDBM285898(7-(5-(5-carboxythiophen-2-yl)-4-chloro-1H-imidazol...)
Affinity DataIC50: 0.330nMpH: 7.4Assay 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:
1/12/2019
Entry Details
US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 285898BDBM285898(7-(5-(5-carboxythiophen-2-yl)-4-chloro-1H-imidazol...)
Affinity DataIC50: 9.66nMpH: 7.4Assay 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:
1/12/2019
Entry Details
US Patent