BDBM13953 1:1 racemic mixture::2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]naphthalen-1-yl}amidoformic acid)benzoic acid::2-{[4-(2-Acetylamino-2-pentylcarbamoylethyl)naphthalen-1-yl]oxalylamino}benzoic Acid::CHEMBL303333::N-Acetyl-4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-N-pentyl-1-naphthylalaninamide::Oxalylarylaminobenzoic Acid Analog 12a::linked-fragment derived compound 12

SMILES CCCCCNC(=O)[C@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)C

InChI Key InChIKey=UESXELNYBIOROE-UHFFFAOYSA-N

Data  6 KI

PDB links: 1 PDB ID matches this monomer.

  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 6 hits for monomerid = 13953   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13953(2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]naphth...)
Affinity DataKi:  631nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM13953(2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]naphth...)
Affinity DataKi:  1.10E+3nM ΔG°:  -8.04kcal/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:
2/26/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Abbott Laboratories

LigandPNGBDBM13953(2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]naphth...)
Affinity DataKi:  1.10E+3nM ΔG°:  -8.04kcal/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:
2/26/2007
Entry Details Article
PubMed
LigandPNGBDBM13953(2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]naphth...)
Affinity DataKi:  1.10E+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
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Abbott Laboratories

LigandPNGBDBM13953(2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]naphth...)
Affinity DataKi:  1.10E+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
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13953(2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]naphth...)
Affinity DataKi:  1.10E+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
PubMedPDB3D3D Structure (crystal)