BDBM285866 Methyl [4-(2-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-5-hydroxy-1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl}-1H-imidazol-5-yl)phenyl]carbamate (four stereoisomers)::US10081617, Example 15

SMILES COC(=O)Nc1ccc(-c2cnc(C3CC(O)c4cc(-c5cc(Cl)ccc5-n5cnnn5)c[n+]([O-])c43)[nH]2)cc1

InChI Key InChIKey=SUAUGAFXXNWOJP-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 = 285866   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 285866BDBM285866(US10081617, Example 15 | Methyl [4-(2-{3-[5-chloro...)
Affinity DataIC50: 1.61nMpH: 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