BDBM285969 US10081617, Example 116::US10081617, Example 117::methyl (4-{5-chloro-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(-c2nc(C3(O)CCc4c(OC)c(-c5cc(Cl)ccc5C#N)c[n+]([O-])c43)[nH]c2Cl)cc1

InChI Key InChIKey=QSNFKYUSKOAXLV-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 285969   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 285969BDBM285969(US10081617, Example 117 | methyl (4-{5-chloro-2-[3...)
Affinity DataIC50: 0.610nMpH: 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 285969BDBM285969(US10081617, Example 117 | methyl (4-{5-chloro-2-[3...)
Affinity DataIC50: 170nMpH: 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