BDBM285852 5-(2-{3-[5-chloro-2- (1H-tetrazol-1- yl)phenyl]-1-oxido- 6,7-dihydro-5H- cyclopenta[b]pyridin- 7-yl}-1H-imidazol-5- yl)thiophene-2- carboxylic acid::US10081617, Example 12

SMILES O=C(O)c1ccc(-c2cnc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)c[n+]([O-])c43)[nH]2)s1

InChI Key InChIKey=CJODOARCLRCYGE-UHFFFAOYSA-N

Data  1 KI  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 2 hits for monomerid = 285852   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 285852BDBM285852(US10081617, Example 12 | 5-(2-{3-[5-chloro-2- (1H-...)
Affinity DataKi:  3.08nMpH: 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 285852BDBM285852(US10081617, Example 12 | 5-(2-{3-[5-chloro-2- (1H-...)
Affinity DataIC50: 5.94nMpH: 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