BDBM349978 (E)-4-(2-(3-(2-(Aminomethyl)-5-chlorophenyl)acryloyl)-5-(piperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, tri TFA Salt::US10208021, Example 32

SMILES NCc1ccc(Cl)cc1\C=C\C(=O)N1CCc2c(cccc2N2CCNCC2)C1C(=O)Nc1ccc(cc1)C(O)=O

InChI Key InChIKey=WXQKEQBXHQJRLO-UHFFFAOYSA-N

Data  1 KI

  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 = 349978   

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM349978((E)-4-(2-(3-(2-(Aminomethyl)-5-chlorophenyl)acrylo...)
Affinity DataKi:  300nMAssay 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