BDBM50072064 5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[2,3'']bipyridinyl::5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl::5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine::5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine::CHEMBL416146::ETORICOXIB

SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O

InChI Key InChIKey=MNJVRJDLRVPLFE-UHFFFAOYSA-N

Data  13 KI  33 IC50

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 15 hits for monomerid = 50072064   

TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of COX1 (unknown origin) expressed in HEK293 TRex cells assessed as reduction in PGE2 production using arachidonic acid as substrate prein...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  9.38E+4nMAssay Description:Inhibition of COX1 in human whole blood assessed as reduction in calcium ionophore-stimulated TXB2 production incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant COX-1 assessed as reduction in peroxidase activity using arachidonic acid as substrate preincubated for 60 mins follo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of COX1 in human whole blood assessed as inhibition of lipopolysaccharide-induced TxB2 production after 30 min by enzyme immunoassayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human COX1 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 treated 1 hr before a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50: >2.00E+5nMAssay Description:In vitro inhibitory concentration against Prostaglandin G/H synthase 1 (COX-1) in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human cyclooxygenase-1 expressed in COS cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  9.88E+4nMAssay Description:Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50: >1.00E+5nMAssay Description:In vitro inhibition of Prostaglandin G/H synthase 1 in human whole blood assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE-2 produced by microsomes from U937 cells at subsaturating arachidoni...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed