BDBM50513 4-(2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-4-carbonyl)benzoic acid::4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetraketo-pyrrol[3,4-f]isoindole-8-carbonyl]benzoic acid::4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetrakis(oxidanylidene)pyrrolo[3,4-f]isoindol-8-yl]carbonylbenzoic acid::4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindole-8-carbonyl]benzoic acid::4-[[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetraoxo-8-pyrrolo[3,4-f]isoindolyl]-oxomethyl]benzoic acid::CHEMBL1324382::MLS000714384::SMR000274364::cid_3108985

SMILES Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O

InChI Key InChIKey=HCVOMYUMZYAHRX-UHFFFAOYSA-N

Data  10 IC50

  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 10 hits for monomerid = 50513   

TargetDual specificity protein phosphatase 6(Rat)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50513(4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetrakis(ox...)
Affinity DataIC50: 1.89E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
LigandPNGBDBM50513(4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetrakis(ox...)
Affinity DataIC50: 4.40E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50513(4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetrakis(ox...)
Affinity DataIC50: 5.31E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50513(4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetrakis(ox...)
Affinity DataIC50: 3.39E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
LigandPNGBDBM50513(4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetrakis(ox...)
Affinity DataIC50: 1.12E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetLow molecular weight phosphotyrosine protein phosphatase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50513(4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetrakis(ox...)
Affinity DataIC50: 8.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetLow molecular weight phosphotyrosine protein phosphatase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50513(4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetrakis(ox...)
Affinity DataIC50: 3.13E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50513(4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetrakis(ox...)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50513(4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetrakis(ox...)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetProstaglandin E synthase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50513(4-[2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetrakis(ox...)
Affinity DataIC50: 7.90E+3nMAssay Description:Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed