BDBM285978 4-(2-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-7-hydroxy-1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl}-1H-imidazol-5-yl)-3-fluoro-N-(methylsulfonyl)thiophene-2-carboxamide::US10081617, Example 125

SMILES CS(=O)(=O)NC(=O)c1scc(c1F)-c1cnc([nH]1)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=JUTLTRBWNIBROL-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 285978   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM285978(US10081617, Example 125 | 4-(2-{3-[5-chloro-2-(1H-...)
Affinity DataIC50: 1.41nMpH: 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
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Date in BDB:
1/12/2019
Entry Details
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