BDBM50336272 Acemetacin::CHEMBL189171::[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-acetic acid carboxymethyl ester

SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(O)=O)c2c1

InChI Key InChIKey=FSQKKOOTNAMONP-UHFFFAOYSA-N

Data  2 KI  2 IC50

  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 4 hits for monomerid = 50336272   

TargetProstaglandin G/H synthase 1(Human)
Tianjin University

Curated by ChEMBL
LigandPNGBDBM50336272(Acemetacin | [1-(4-Chloro-benzoyl)-5-methoxy-2-met...)
Affinity DataIC50: 10nMAssay Description:Inhibition of COX1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetProstaglandin G/H synthase 2(Human)
Tianjin University

Curated by ChEMBL
LigandPNGBDBM50336272(Acemetacin | [1-(4-Chloro-benzoyl)-5-methoxy-2-met...)
Affinity DataIC50: 10nMAssay Description:Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition by colorimetric assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetLactoylglutathione lyase(Human)
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50336272(Acemetacin | [1-(4-Chloro-benzoyl)-5-methoxy-2-met...)
Affinity DataKi:  1.29E+4nMAssay Description:Inhibition of glyoxalase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetLactoylglutathione lyase(Human)
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50336272(Acemetacin | [1-(4-Chloro-benzoyl)-5-methoxy-2-met...)
Affinity DataKi:  4.90E+4nMAssay 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 Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed