BDBM349979 (E)-4-(2-(3-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-(2-oxopiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid:::US10208021, Example 33

SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCCCC2=O)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1

InChI Key InChIKey=KIMHLRXFOCRDJQ-NTEUORMPSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 349979   

TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349979((E)-4-(2-(3-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)a...)
Affinity DataKi:  5.80nMAssay Description:Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349979((E)-4-(2-(3-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)a...)
Affinity DataKi:  7.5nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent