etoricoxib [Ligand Id: 2896] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL416146 (Arcoxia, Etoricoxib, L-791456, MK-0663)
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  • mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219]
ChEMBL Inhibition of human cyclooxygenase-1 expressed in COS cells B 4 pIC50 >100000 nM IC50 Bioorg Med Chem Lett (2004) 14: 5445-5448 [PMID:15454242]
ChEMBL In vitro inhibition of Prostaglandin G/H synthase 1 in human whole blood assay B 4 pIC50 >100000 nM IC50 Bioorg Med Chem Lett (2001) 11: 1059-1062 [PMID:11327589]
ChEMBL Inhibition of human COX1 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 treated 1 hr before arachidonic acid challenge by enzyme immunoassay B 4 pIC50 >100000 nM IC50 Bioorg Med Chem Lett (2009) 19: 4504-4508 [PMID:19520573]
ChEMBL Inhibition of COX1 in human whole blood assessed as inhibition of lipopolysaccharide-induced TxB2 production after 30 min by enzyme immunoassay B 4 pIC50 >100000 nM IC50 Bioorg Med Chem Lett (2009) 19: 4504-4508 [PMID:19520573]
ChEMBL Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood B 4.01 pIC50 98800 nM IC50 J Med Chem (2004) 47: 3874-3886 [PMID:15239665]
ChEMBL Inhibition of COX1 in human whole blood assessed as reduction in calcium ionophore-stimulated TXB2 production incubated for 1 hr by ELISA B 4.03 pIC50 93800 nM IC50 J Med Chem (2021) 64: 11570-11596 [PMID:34279934]
ChEMBL Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE-2 produced by microsomes from U937 cells at subsaturating arachidonic acid conc. B 4.92 pIC50 12000 nM IC50 Bioorg Med Chem Lett (1998) 8: 2777-2782 [PMID:9873621]
Cyclooxygenase-1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2949] [UniProtKB: P05979]
ChEMBL Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA B 4.52 pIC50 >30000 nM IC50 Medchemcomm (2019) 10: 421-430 [PMID:30996860]
COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354]
ChEMBL Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH based fluorometric analysis B 7.16 pKi 69 nM Ki J Med Chem (2021) 64: 11570-11596 [PMID:34279934]
ChEMBL In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2) in human whole blood B 5.7 pIC50 2000 nM IC50 J Med Chem (2005) 48: 3930-3934 [PMID:15916445]
ChEMBL Inhibition of human recombinant COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by ADPH probe-based fluorescence assay B 5.96 pIC50 1100 nM IC50 Eur J Med Chem (2018) 151: 520-532 [PMID:29655084]
ChEMBL Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB B 5.96 pIC50 1100 nM IC50 Bioorg Med Chem Lett (1998) 8: 2777-2782 [PMID:9873621]
ChEMBL In vitro inhibition of Prostaglandin G/H synthase 2 in human whole blood assay B 5.96 pIC50 1100 nM IC50 Bioorg Med Chem Lett (2001) 11: 1059-1062 [PMID:11327589]
GtoPdb - - 6 pIC50 1100 nM IC50 J Pharmacol Exp Ther (2001) 296: 558-66 [PMID:11160644]
ChEMBL Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood B 6.09 pIC50 810 nM IC50 J Med Chem (2004) 47: 3874-3886 [PMID:15239665]
ChEMBL Inhibition of COX2 in human whole blood B 6.09 pIC50 810 nM IC50 Bioorg Med Chem Lett (2006) 16: 3209-3212 [PMID:16616494]
ChEMBL Inhibition of COX2 in human whole blood B 6.09 pIC50 810 nM IC50 Bioorg Med Chem Lett (2006) 16: 3605-3608 [PMID:16647258]
ChEMBL Inhibition of COX2 in human whole blood assessed as reduction in LPS stimulated PGE2 production incubated for 1 hr by ELISA B 6.21 pIC50 611 nM IC50 J Med Chem (2021) 64: 11570-11596 [PMID:34279934]
ChEMBL Inhibition of COX2 (unknown origin) expressed in HEK293 TRex cells assessed as reduction in PGE2 production using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 1 hr in presence of 10% FBS by RapidFire High-Throughput Mass Spectrometry B 6.25 pIC50 560 nM IC50 J Med Chem (2021) 64: 11570-11596 [PMID:34279934]
ChEMBL Inhibition of COX2 in human whole blood assessed as inhibition of lipopolysaccharide-stimulated PGE2 production after 24 hrs by enzyme immunoassay B 6.26 pIC50 554 nM IC50 Bioorg Med Chem Lett (2009) 19: 4504-4508 [PMID:19520573]
ChEMBL Inhibition of human recombinant COX-2 assessed as reduction in peroxidase activity using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH based fluorometric analysis B 6.37 pIC50 430 nM IC50 J Med Chem (2021) 64: 11570-11596 [PMID:34279934]
ChEMBL Inhibition of human cyclooxygenase-2 expressed in COS cells B 6.46 pIC50 347 nM IC50 Bioorg Med Chem Lett (2004) 14: 5445-5448 [PMID:15454242]
ChEMBL Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 hr before arachidonic acid challenge by enzyme immunoassay B 6.46 pIC50 347 nM IC50 Bioorg Med Chem Lett (2009) 19: 4504-4508 [PMID:19520573]
ChEMBL Inhibition of human COX-2 transfected in CHO cells using arachidonic acid as substrate B 7.09 pIC50 81 nM IC50 Eur J Med Chem (2019) 162: 1-17 [PMID:30396033]
ChEMBL In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2 B 7.09 pIC50 81 nM IC50 Bioorg Med Chem Lett (1998) 8: 2777-2782 [PMID:9873621]
Cyclooxygenase-2 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4102] [UniProtKB: P79208]
ChEMBL Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA B 6.64 pIC50 230 nM IC50 Medchemcomm (2019) 10: 421-430 [PMID:30996860]
mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539]
ChEMBL Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score = -18.6kcal/mol B 6.28 pIC50 530 nM IC50 Bioorg Med Chem Lett (2005) 15: 3506-3509 [PMID:15990304]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]