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

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ChEMBL ligand: CHEMBL416146 (Arcoxia, Etoricoxib, L-791456, MK-0663)
  • COX-1 /Cyclooxygenase-1 in Human [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219]
  • Cyclooxygenase-1 in Sheep [ChEMBL: CHEMBL2949] [UniProtKB: P05979]
  • This target only has 0 pki data point
  • 0
1 CHEMBL416146_lig_chart_1 Cyclooxygenase-1 HumanSheep
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  • COX-2 /Cyclooxygenase-2 in Human [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354]
  • Cyclooxygenase-2 in Sheep [ChEMBL: CHEMBL4102] [UniProtKB: P79208]
  • This target only has 0 pki data point
  • 0
2 CHEMBL416146_lig_chart_2 Cyclooxygenase-2 HumanSheep
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  • mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539]
  • This target only has 0 pki data point
  • 0
3 CHEMBL416146_lig_chart_3 MAP kinase p38 alpha Human
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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 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 cyclooxygenase-1 expressed in COS cells B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 5445-5448 [PMID:15454242]
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 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
COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354]
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 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 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 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 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
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 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]