BDBM285906 4-(2-{3-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-7- hydroxy-1-oxido-6,7- dihydro-5H- cyclopenta[b]pyridin-7-yl}-4- methyl-1H-imidazol-5-yl)-3- fluorothiophene-2-carboxylic acid::US10081617, Example 54::US10081617, Example 55

SMILES Cc1nc(C2(O)CCc3cc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]([O-])c32)[nH]c1-c1csc(C(=O)O)c1F

InChI Key InChIKey=QQMUOXBZGPMZPZ-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 = 285906   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 285906BDBM285906(4-(2-{3-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-7- ...)
Affinity DataIC50: 6.78nMpH: 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 285906BDBM285906(4-(2-{3-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-7- ...)
Affinity DataIC50: 121nMpH: 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