BDBM335783 4-(5-(2-aminopyridin-4- yl)-2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triazole-4-carbonyl)- 1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, bis-TFA salt::US9738655, Example 38

SMILES COC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c2cccc3-c2cncc(N)c2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1

InChI Key InChIKey=XPDXBPGISHRRGJ-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 335783   

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM335783(4-(5-(2-aminopyridin-4- yl)-2-(1-(3-chloro-2- fluo...)
Affinity DataKi:  3.51nMAssay 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
LigandPNGBDBM335783(4-(5-(2-aminopyridin-4- yl)-2-(1-(3-chloro-2- fluo...)
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