BDBM335779 4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triazole-4-carbonyl)-5-(2- hydroxypyrimidin-5-yl)- 1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid::US9738655, Example 34

SMILES COC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c2cccc3-c2cnc(O)nc2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1

InChI Key InChIKey=DNGPLVNRQZAENL-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 335779   

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM335779(4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...)
Affinity DataKi:  0.460nMAssay Description:Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/1/2019
Entry Details
US Patent

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM335779(4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...)
Affinity DataKi: <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:
7/1/2019
Entry Details
US Patent