BDBM50295287 2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetic acid::CHEMBL1020::MCN-2559::TOLMETIN::Tolectin::[1-Methyl-5-(4-methyl-benzoyl)-1H-pyrrol-2-yl]-acetic acid::[1-Methyl-5-(4-methyl-benzoyl)-1H-pyrrol-2-yl]-acetic acid(tolmetin)

SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C

InChI Key InChIKey=UPSPUYADGBWSHF-UHFFFAOYSA-N

Data  9 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50295287   

TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew'S And The Royal London School Of Medicine And Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50295287(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Affinity DataKi:  350nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S And The Royal London School Of Medicine And Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50295287(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Affinity DataKi:  820nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew'S And The Royal London School Of Medicine And Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50295287(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Affinity DataKi:  1.08E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S And The Royal London School Of Medicine And Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50295287(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Affinity DataKi:  1.30E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S And The Royal London School Of Medicine And Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50295287(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Affinity DataKi:  2.25E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetLactoylglutathione lyase(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50295287(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Affinity DataKi:  8.78E+4nMAssay Description:Inhibition of glyoxalase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLactoylglutathione lyase(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50295287(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Affinity DataKi:  8.78E+4nMAssay Description:Inhibition of human glyoxalase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Molecular Discovery

Curated by ChEMBL
LigandPNGBDBM50295287(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Affinity DataKi:  4.16E+5nMAssay Description:Binding affinity towards human serum albuminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLactoylglutathione lyase(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50295287(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Affinity DataKi:  1.01E+6nMAssay Description:Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM50295287(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Affinity DataIC50:  2.39E+3nMAssay Description:Inhibition of Homo sapiens (human) aldose reductaseMore data for this Ligand-Target Pair
TargetInterleukin-8(Homo sapiens (Human))
Grupo Uriach

Curated by ChEMBL
LigandPNGBDBM50295287(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Affinity DataIC50:  90nMAssay Description:Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed