BDBM13971 1:1 racemic mixture::2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]-2-ethylphenyl}amidoformic acid)benzoic acid::2-{[4-(2-Acetylamino-2-pentylcarbamoylethyl)-2-ethylphenyl]oxalylamino}benzoic Acid::CHEMBL55799::Oxalylarylaminobenzoic Acid Analog 12b::oxalyl-aryl-amino benzoic acid-based inhibitor 2

SMILES CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(CC)c1)NC(C)=O

InChI Key InChIKey=NXIFQDCSZVPVLT-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 13971   

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

LigandPNGBDBM13971(2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]-2-eth...)
Affinity DataKi:  900nMAssay 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:
2/27/2007
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Abbott Laboratories

LigandPNGBDBM13971(2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]-2-eth...)
Affinity DataKi:  900nMAssay 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
LigandPNGBDBM13971(2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]-2-eth...)
Affinity DataKi:  1.20E+3nMAssay 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:
2/27/2007
Entry Details Article
PubMed
LigandPNGBDBM13971(2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]-2-eth...)
Affinity DataKi:  1.20E+3nM ΔG°:  -7.99kcal/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
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Sunesis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM13971(2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]-2-eth...)
Affinity DataKi:  1.20E+3nMAssay Description:Binding affinity for Protein-tyrosine phosphatase 1BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed