BDBM335985 4-(2-(5-amino-1-(3-chloro- 2-fluorophenyl)-1H- pyrazole-4-carbonyl)-5-(4- methylpiperazin-1- yl)-1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, 2 TFA salt::US9738655, Example 212

SMILES CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cnn(c1N)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key InChIKey=NAHGIMDHYQSLEN-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 335985   

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM335985(4-(2-(5-amino-1-(3-chloro- 2-fluorophenyl)-1H- pyr...)
Affinity DataKi:  2.89nMAssay 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
LigandPNGBDBM335985(4-(2-(5-amino-1-(3-chloro- 2-fluorophenyl)-1H- pyr...)
Affinity DataKi:  20.9nMAssay 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