ketorolac [Ligand Id: 6661] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL469 (Ketorolac, Ketorolaco)
  • aldo-keto reductase family 1 member B/Aldose reductase in Rat [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
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  • fatty acid binding protein 1/Fatty acid-binding protein, liver in Rat [ChEMBL: CHEMBL5738] [GtoPdb: 2531] [UniProtKB: P02692]
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  • L-PGDS/Prostaglandin-H2 D-isomerase in Mouse [ChEMBL: CHEMBL4334] [GtoPdb: 1380] [UniProtKB: O09114]
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  • p21 (RAC1) activated kinase 1/Serine/threonine-protein kinase PAK 1 in Human [ChEMBL: CHEMBL4600] [GtoPdb: 2133] [UniProtKB: Q13153]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
ChEMBL DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) B 5.21 pIC50 6109 nM IC50 DrugMatrix in vitro pharmacology data
COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219]
GtoPdb Instantaneous inhibition of human COX1 by compound (no pre-incubation). - 4.5 pIC50 31500 nM IC50 J Med Chem (2011) 54: 8555-62 [PMID:22091869]
ChEMBL Inhibition of human COX1 B 5.91 pIC50 1230 nM IC50 Eur J Med Chem (2016) 114: 257-292 [PMID:26994693]
ChEMBL DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) B 7.89 pIC50 13 nM IC50 DrugMatrix in vitro pharmacology data
GtoPdb - - 9.72 pIC50 0.19 nM IC50 Proc Natl Acad Sci USA (1999) 96: 7563-8 [PMID:10377455]
COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354]
GtoPdb Instantaneous inhibition of human COX2 by compound (no pre-incubation). - 4.22 pIC50 60500 nM IC50 J Med Chem (2011) 54: 8555-62 [PMID:22091869]
ChEMBL Inhibition of human COX2 B 5.46 pIC50 3500 nM IC50 Eur J Med Chem (2016) 114: 257-292 [PMID:26994693]
ChEMBL DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) B 6.37 pIC50 424 nM IC50 DrugMatrix in vitro pharmacology data
ChEMBL Inhibition of recombinant human COX2 using arachidonic acid as substrate measured after 2 to 5 mins B 6.85 pIC50 140 nM IC50 Eur J Med Chem (2017) 126: 270-276 [PMID:27889630]
GtoPdb Inhibition of human COX2 measured after pre-incubation of enzyme with compound. - 6.92 pIC50 120 nM IC50 J Med Chem (2011) 54: 8555-62 [PMID:22091869]
fatty acid binding protein 1/Fatty acid-binding protein, liver in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5738] [GtoPdb: 2531] [UniProtKB: P02692]
ChEMBL Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay B 4.94 pKi 11600 nM Ki J Med Chem (2008) 51: 3755-3764 [PMID:18533710]
L-PGDS/Prostaglandin-H2 D-isomerase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4334] [GtoPdb: 1380] [UniProtKB: O09114]
ChEMBL Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes B 6.64 pIC50 230 nM IC50 J Med Chem (1991) 34: 1099-1110 [PMID:1900533]
p21 (RAC1) activated kinase 1/Serine/threonine-protein kinase PAK 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4600] [GtoPdb: 2133] [UniProtKB: Q13153]
ChEMBL Inhibition of PAK1 in human A549 cells using myelin basic protein as substrate preincubated for 24 hrs followed by PAK1 immunoprecipation and substrate addition measured after 60 mins by ATP-Glo kinase assay B 4.44 pIC50 36000 nM IC50 Eur J Med Chem (2017) 126: 270-276 [PMID:27889630]

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]