nimesulide [Ligand Id: 7401] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL56367 (Aulin, Nimesulide, NSC-758412, R 805, R-805)
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  • Leukotriene A4 hydrolase/Leukotriene A4 hydrolase in Human [ChEMBL: CHEMBL4618] [GtoPdb: 1395] [UniProtKB: P09960]
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  • MMP1/Matrix metalloproteinase-1 in Human [ChEMBL: CHEMBL332] [GtoPdb: 1628] [UniProtKB: P03956]
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  • B0AT1 in Rat [GtoPdb: 939] [UniProtKB: Q2A865]
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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 Inhibitory activity was evaluated against human Prostaglandin G/H synthase 1 was determined B 4.23 pIC50 59000 nM IC50 Bioorg. Med. Chem. Lett. (1998) 8: 529-534 [PMID:9871612]
ChEMBL Inhibition of human Prostaglandin G/H synthase 1 at 10 ug/mL expressed as the mean percent inhibition of control PGE-2 production B 4.3 pIC50 50000 nM IC50 J. Med. Chem. (1997) 40: 980-989 [PMID:9083488]
ChEMBL Inhibition of purified COX1 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay B 4.49 pIC50 32200 nM IC50 J. Med. Chem. (2011) 54: 3650-3660 [PMID:21542630]
ChEMBL The inhibitory activity against Prostaglandin G/H synthase 1 measured as TXB2 production after blood coagulation using human Whole blood assay B 4.66 pIC50 22000 nM IC50 J. Med. Chem. (2002) 45: 5182-5185 [PMID:12408728]
ChEMBL In vitro inhibition activity against cyclooxygenase 1 with the compound dissolved in DMSO B 4.76 pIC50 17400 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 3930-3933 [PMID:15993594]
GtoPdb - - 4.76 pIC50 17400 nM IC50 Bioorg Med Chem Lett (2005) 15: 3930-3 [PMID:15993594]
ChEMBL Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay B 4.96 pIC50 10900 nM IC50 Bioorg. Med. Chem. (2009) 17: 1125-1131 [PMID:19135376]
ChEMBL Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay B 5.42 pIC50 3760 nM IC50 J. Med. Chem. (2009) 52: 5864-5871 [PMID:19791801]
ChEMBL Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A-23187-stimulated platelet aggregation by measuring TXB2 production B 5.42 pIC50 3760 nM IC50 J. Med. Chem. (2004) 47: 6749-6759 [PMID:15615524]
ChEMBL Inhibition of COX1 B 5.42 pIC50 3760 nM IC50 J. Med. Chem. (2011) 54: 2529-2591 [PMID:21413808]
ChEMBL Inhibition of COX-1 in human whole blood assessed as thromboxane B2 level in serum after 5 mins by enzyme immunoassay B 5.42 pIC50 3760 nM IC50 Eur. J. Med. Chem. (2014) 74: 12-22 [PMID:24440378]
ChEMBL DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) B 5.91 pIC50 1226 nM IC50 DrugMatrix in vitro pharmacology data
Cyclooxygenase-1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2949] [UniProtKB: P05979]
ChEMBL Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. (2015) 23: 6807-6814 [PMID:26455657]
ChEMBL Inhibition of ovine COX1 assessed as PGF2alpha level by EIA B 5.21 pIC50 6200 nM IC50 Bioorg. Med. Chem. (2011) 19: 2074-2083 [PMID:21349729]
COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354]
ChEMBL Inhibition of human COX2 expressed in baculovirus infected sf21 cells assessed as reduction in formation of oxidized TMPD using arachidonic acid as substrate preincubated for 3 to 5 mins followed by arachidonic acid addition measured for 25 secs by spectrophotometric assay B 4.64 pIC50 23140 nM IC50 ACS Med Chem Lett (2018) 9: 1045-1050 [PMID:30344915]
ChEMBL Inhibition of human Prostaglandin G/H synthase 2 at 10 ug/mL expressed as the mean percent inhibition of control PGE-2 production B 5.03 pIC50 9400 nM IC50 J. Med. Chem. (1997) 40: 980-989 [PMID:9083488]
ChEMBL Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs by ELISA B 5.06 pIC50 8700 nM IC50 J. Med. Chem. (2011) 54: 3650-3660 [PMID:21542630]
ChEMBL Inhibition of COX2 in LPS-stimulated human whole blood assessed as TXB2 production by enzyme immunoassay B 5.46 pIC50 3500 nM IC50 Bioorg. Med. Chem. (2009) 17: 1125-1131 [PMID:19135376]
ChEMBL Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate measured after 10 mins by fluorometric based multimode microplate reader B 5.77 pIC50 1684 nM IC50 Eur J Med Chem (2021) 209: 112918-112918 [PMID:33071054]
ChEMBL DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) B 5.84 pIC50 1436 nM IC50 DrugMatrix in vitro pharmacology data
ChEMBL The inhibitory activity against cyclooxygenase Prostaglandin G/H synthase 2 (COX-2) measured as PGE-2 production after blood coagulation using human Whole blood assay B 5.89 pIC50 1300 nM IC50 J. Med. Chem. (2002) 45: 5182-5185 [PMID:12408728]
ChEMBL Inhibition of COX-2 in human whole blood assessed as PGE2 level in plasma after 5 mins by enzyme immunoassay B 6.15 pIC50 700 nM IC50 Eur. J. Med. Chem. (2014) 74: 12-22 [PMID:24440378]
ChEMBL Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production B 6.15 pIC50 700 nM IC50 J. Med. Chem. (2004) 47: 6749-6759 [PMID:15615524]
ChEMBL Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay B 6.15 pIC50 700 nM IC50 J. Med. Chem. (2009) 52: 5864-5871 [PMID:19791801]
ChEMBL Inhibition of COX2 B 6.15 pIC50 700 nM IC50 J. Med. Chem. (2011) 54: 2529-2591 [PMID:21413808]
GtoPdb - - 6.22 pIC50 600 nM IC50 Bioorg Med Chem Lett (2005) 15: 3930-3 [PMID:15993594]
ChEMBL In vitro inhibition activity against cyclooxygenase 2 with the compound dissolved in DMSO B 6.22 pIC50 600 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 3930-3933 [PMID:15993594]
ChEMBL Inhibition of purified COX2 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay B 7.64 pIC50 23 nM IC50 J. Med. Chem. (2011) 54: 3650-3660 [PMID:21542630]
ChEMBL Inhibitory activity was evaluated against human Prostaglandin G/H synthase 2 was determined B 7.82 pIC50 15 nM IC50 Bioorg. Med. Chem. Lett. (1998) 8: 529-534 [PMID:9871612]
Cyclooxygenase-2 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4102] [UniProtKB: P79208]
ChEMBL Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method B 5.72 pIC50 1920 nM IC50 Bioorg. Med. Chem. (2015) 23: 6807-6814 [PMID:26455657]
ChEMBL Inhibition of ovine COX2 assessed as PGF2alpha level by EIA B 6.4 pIC50 400 nM IC50 Bioorg. Med. Chem. (2011) 19: 2074-2083 [PMID:21349729]
CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
ChEMBL Inhibition of aromatase in SK-BR-3 cells by tritiated water release assay B 4.57 pIC50 27000 nM IC50 J. Med. Chem. (2007) 50: 1635-1644 [PMID:17315855]
Dipeptidyl peptidase 3 in Bos mutus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105778] [UniProtKB: L8I2E6]
ChEMBL Mixed type inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate preincubated for 10 min by Cornish-Bowden plot analysis B 4.15 pKi 70000 nM Ki Med Chem Res (2011) 20: 1294-1297
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.93 pKi 11826 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.83 pIC50 14884 nM IC50 DrugMatrix in vitro pharmacology data
Leukotriene A4 hydrolase/Leukotriene A4 hydrolase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4618] [GtoPdb: 1395] [UniProtKB: P09960]
ChEMBL Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15 mins by ELISA B 4 pIC50 >100000 nM IC50 J. Med. Chem. (2011) 54: 3650-3660 [PMID:21542630]
ChEMBL Inhibition of LTA4 hydrolase in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 0.5 hrs by ELISA B 4 pIC50 >100000 nM IC50 J. Med. Chem. (2011) 54: 3650-3660 [PMID:21542630]
MMP1/Matrix metalloproteinase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL332] [GtoPdb: 1628] [UniProtKB: P03956]
ChEMBL DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) B 4.63 pIC50 23345 nM IC50 DrugMatrix in vitro pharmacology data
myeloperoxidase/Myeloperoxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2439] [GtoPdb: 2789] [UniProtKB: P05164]
ChEMBL Inhibition of recombinant human myeloperoxidase B 5.68 pIC50 2100 nM IC50 J. Med. Chem. (2012) 55: 7208-7218 [PMID:22793255]
B0AT1 in Rat [GtoPdb: 939] [UniProtKB: Q2A865]
GtoPdb - - 4.64 pIC50 23000 nM IC50 Biochem Pharmacol (2014) 89: 422-30 [PMID:24704252]

ChEMBL data shown on this page come from version 31:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños 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]