BDBM285913 Methyl [4-(2-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl}-1H-imidazol-4-yl)phenyl]carbamate (racemic)::US10081617, Example 60

SMILES [O-][n+]1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2c1C(O)(c1ncc(-c3ccc(O)nc3F)[nH]1)CC2

InChI Key InChIKey=FDXVSWCNMOUDCR-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 = 285913   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 285913BDBM285913(US10081617, Example 60 | Methyl [4-(2-{3-[5-chloro...)
Affinity DataIC50: 3.86nMpH: 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