BDBM349986 (S,E)-Ethyl 4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoate, TFA Salt::US10208021, Example 192

SMILES CCOC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCN(C)CC2=O)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1

InChI Key InChIKey=OHUJJPAPZMISRL-RJLVRWHWSA-N

Data  1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 349986   

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

US Patent
LigandPNGBDBM349986((S,E)-Ethyl 4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetra...)
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