BDBM285938 US10081617, Example 85::US10081617, Example 86::methyl (4-{2-[3-(5-chloro-2- cyanophenyl)-7-hydroxy-4- methoxy-1-oxido-6,7-dihydro- 5H-cyclopenta[b]pyridin-7-yl]- 1H-imidazol-4- yl}phenyl)carbamate

SMILES COC(=O)Nc1ccc(-c2c[nH]c(C3(O)CCc4c(OC)c(-c5cc(Cl)ccc5C#N)c[n+]([O-])c43)n2)cc1

InChI Key InChIKey=CMOGQTPNZQVAMF-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 285938   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 285938BDBM285938(methyl (4-{2-[3-(5-chloro-2- cyanophenyl)-7-hydrox...)
Affinity DataIC50: 0.800nMpH: 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 285938BDBM285938(methyl (4-{2-[3-(5-chloro-2- cyanophenyl)-7-hydrox...)
Affinity DataIC50: 144nMpH: 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