BDBM335761 (S)-4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-4-carbonyl)-5-(6-cyanopyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, TFA salt::US9738655, Example 16

SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3-c2ccc(nc2)C#N)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1

InChI Key InChIKey=HETUUWMBFBHOTJ-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 = 335761   

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM335761((S)-4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-tri...)
Affinity DataKi:  4.55nMAssay 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
LigandPNGBDBM335761((S)-4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-tri...)
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