BDBM285873 (S)-3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-hydroxy-7-(5-(4-((methoxycarbonyl)amino)phenyl)-1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-1-oxide and (R)-3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-hydroxy-7-(5-(4-((methoxycarbonyl)amino)phenyl)-1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-1-oxide::US10081617, Example 21

SMILES COC(=O)Nc1ccc(-c2cnc([C@@]3(O)CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)c[n+]([O-])c43)[nH]2)cc1

InChI Key InChIKey=CIWFSSFAKXOEDY-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 285873   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 285873BDBM285873(US10081617, Example 21 | (S)-3-(5-chloro-2-(1H-tet...)
Affinity DataIC50: 0.520nMpH: 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