BDBM285953 4-(2-{3-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-7- hydroxy-1-oxido-6,7-dihydro- 5H-cyclopenta[b]pyridin-7-yl}- 4-fluoro-1H-imidazol-5-yl)-3- fluorothiophene-2-carboxylic acid::US10081617, Example 100

SMILES O=C(O)c1scc(-c2[nH]c(C3(O)CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)c[n+]([O-])c43)nc2F)c1F

InChI Key InChIKey=PVQZDWXEBLJTLO-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 = 285953   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 285953BDBM285953(US10081617, Example 100 | 4-(2-{3-[5-chloro-2-(1H-...)
Affinity DataIC50: 0.340nMpH: 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