BDBM285963 US10081617, Example 110::methyl (4-{4-chloro-2-[(7S)-3- (5-chloro-2-cyanophenyl)-7- hydroxy-1-oxido-6,7-dihydro- 5H-cyclopenta[b]pyridin-7-yl]- 1H-imidazol-5- yl}phenyl)carbamate

SMILES COC(=O)Nc1ccc(-c2[nH]c([C@]3(O)CCc4cc(-c5cc(Cl)ccc5C#N)c[n+]([O-])c43)nc2Cl)cc1

InChI Key InChIKey=MWCXBDAZQPOCLM-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 285963   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 285963BDBM285963(US10081617, Example 110 | methyl (4-{4-chloro-2-[(...)
Affinity DataIC50: 4.70nMpH: 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