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  32 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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 50072064   

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataKi:  69nMAssay Description:Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by PDSP Ki Database
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataKi:  79nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataKi:  1.10E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataKi:  4.10E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataKi:  5.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

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 E2 receptor EP2 subtype(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

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
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

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 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 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  810nMAssay Description:Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Universidade Federal Do Rio De Janeiro (Ufrj)

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  530nMAssay Description:Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score=-18.6kcal/mol More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  2.00E+3nMAssay Description:In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2) in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  810nMAssay Description:Inhibition of COX2 in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  810nMAssay Description:Inhibition of COX2 in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  347nMAssay Description:Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  4.50E+4nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  5.30E+4nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  5.32E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  81nMAssay Description:Inhibition of human COX-2 transfected in CHO cells using arachidonic acid as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  611nMAssay Description:Inhibition of COX2 in human whole blood assessed as reduction in LPS stimulated PGE2 production incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  560nMAssay Description:Inhibition of COX2 (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 ArticlePubMedDrugBank

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 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  347nMAssay Description:Inhibition of human cyclooxygenase-2 expressed in COS cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of cytochrome P450 CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  430nMAssay Description:Inhibition of human recombinant COX-2 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 ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  554nMAssay Description:Inhibition of COX2 in human whole blood assessed as inhibition of lipopolysaccharide-stimulated PGE2 production after 24 hrs by enzyme immunoassayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  81nMAssay Description:In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research And Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Affinity DataIC50:  1.10E+3nMAssay Description:In vitro inhibition of Prostaglandin G/H synthase 2 in human whole blood assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank