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ChEMBL ligand: CHEMBL56367 (Aulin, Nimesulide, NSC-758412, R 805, R-805) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 | Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate incubated for 5 to 10 mins by fluorometric analysis | B | 5.77 | pIC50 | 1680 | nM | IC50 | RSC Med Chem (2022) 13: 471-496 [PMID:35685617] |
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 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] |
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] |
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 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]