BDBM349980 (E)-4-(2-(3-(5-chloro-4-fluoro-2-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-(piperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, bis TFA Salt::US10208021, Example 65

SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCNCC2)C(=O)\C=C\c2cc(Cl)c(F)cc2-n2cnnn2)cc1

InChI Key InChIKey=ZGFWPALTVDPPER-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 349980   

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM349980((E)-4-(2-(3-(5-chloro-4-fluoro-2-(1H-tetrazol-1-yl...)
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
In Depth
Date in BDB:
9/21/2019
Entry Details
US Patent