null

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

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 5 hits for monomerid = 13971   

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

LigandPNGBDBM13971(1:1 racemic mixture | 2-({4-[2-acetamido-2-(pentyl...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29S1P91PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM13971(1:1 racemic mixture | 2-({4-[2-acetamido-2-(pentyl...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26H4FPHPubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Sunesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM13971(1:1 racemic mixture | 2-({4-[2-acetamido-2-(pentyl...)copy SMILEScopy InChI
Affinity DataKi:  1.20E+3nMAssay Description:Binding affinity for Protein-tyrosine phosphatase 1BMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NC61ZJPubMed
TargetTyrosine-protein phosphatase non-receptor type 1 [1-298](Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM13971(1:1 racemic mixture | 2-({4-[2-acetamido-2-(pentyl...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26H4FPHPubMed
TargetTyrosine-protein phosphatase non-receptor type 1 [1-298](Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM13971(1:1 racemic mixture | 2-({4-[2-acetamido-2-(pentyl...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29S1P91PubMed