BDBM15806 1:1 racemic mixture::2-{[4-(2-acetamido-2-{[(4-nitrophenyl)methyl]carbamoyl}ethyl)-2-ethylphenyl]amidoformic acid}benzoic acid::oxalyl-aryl-amino benzoic acid-based inhibitor 8a

SMILES CCc1cc(CC(NC(C)=O)C(=O)NCc2ccc(cc2)[N+]([O-])=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O

InChI Key InChIKey=WHXGPRFBRYTMKY-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 15806   

TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Abbott Laboratories

LigandPNGBDBM15806(2-{[4-(2-acetamido-2-{[(4-nitrophenyl)methyl]carba...)
Affinity DataKi:  450nMAssay Description:The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/14/2007
Entry Details Article
PubMed
LigandPNGBDBM15806(2-{[4-(2-acetamido-2-{[(4-nitrophenyl)methyl]carba...)
Affinity DataKi:  540nM ΔG°:  -8.46kcal/molepH: 7.5 T: 2°CAssay Description:The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/14/2007
Entry Details Article
PubMed