BDBM85511 CAS_74103-07-4::KETOROLAC::Ketorolac tris salt::Toradol
SMILES: OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
InChI Key: InChIKey=OZWKMVRBQXNZKK-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database | Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database | Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database | Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dallas Department of Veterans Affairs Medical Center Curated by PDSP Ki Database | Am J Med 104: 413-21 (1998) Article DOI: 10.1016/s0002-9343(98)00091-6 BindingDB Entry DOI: 10.7270/Q2F18X97 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dallas Department of Veterans Affairs Medical Center Curated by PDSP Ki Database | Am J Med 104: 413-21 (1998) Article DOI: 10.1016/s0002-9343(98)00091-6 BindingDB Entry DOI: 10.7270/Q2F18X97 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Intestinal fatty acid-binding protein (hIFABP) (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 9.40E+3 | -13.0 | n/a | n/a | n/a | n/a | n/a | n/a | 293.15 |
Monash University | Assay Description Briefly, steady-state fluorescence spectra of ANS binding was monitored by measuring the increase in fluorescence signal between 450?550 nm following... | ACS Chem Biol 9: 2526-34 (2014) Article DOI: 10.1021/cb5005178 BindingDB Entry DOI: 10.7270/Q2348J4C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Liver fatty acid binding protein (rat L-FABP) (Rattus norvegicus (Rat)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by co... | J Med Chem 51: 3755-64 (2008) Article DOI: 10.1021/jm701192w BindingDB Entry DOI: 10.7270/Q2KH0P7G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Liver fatty acid binding protein (rat L-FABP) (Rattus norvegicus (Rat)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP low binding affinity site expressed in Escherichia coli BL21 by com... | J Med Chem 51: 3755-64 (2008) Article DOI: 10.1021/jm701192w BindingDB Entry DOI: 10.7270/Q2KH0P7G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serum albumin (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 1.00E+14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecular Discovery Ltd. Curated by ChEMBL | Assay Description Binding affinity towards human serum albumin | J Med Chem 48: 2469-79 (2005) Article DOI: 10.1021/jm049227l BindingDB Entry DOI: 10.7270/Q2125WDN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho GTPase Rac1/CDC42 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kagoshima University Curated by ChEMBL | Assay Description Inhibition of RAC1/CDC42 in human ovarian cancer cells | Eur J Med Chem 126: 270-276 (2017) BindingDB Entry DOI: 10.7270/Q2T72KP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PAK 1/CDC42 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kagoshima University Curated by ChEMBL | Assay Description Inhibition of PAK1 in human A549 cells using myelin basic protein as substrate preincubated for 24 hrs followed by PAK1 immunoprecipation and substra... | Eur J Med Chem 126: 270-276 (2017) BindingDB Entry DOI: 10.7270/Q2T72KP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | DrugBank PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Kagoshima University Curated by ChEMBL | Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate measured after 2 to 5 mins | Eur J Med Chem 126: 270-276 (2017) BindingDB Entry DOI: 10.7270/Q2T72KP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | n/a | n/a | 6.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL | Assay Description Instantaneous inhibition of human COX2 measured immediately after incubation of enzyme with compound | J Med Chem 54: 8555-62 (2011) Article DOI: 10.1021/jm201090k BindingDB Entry DOI: 10.7270/Q2W95B6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL | Assay Description Inhibition of human COX2 measured after pre-incubation of enzyme with compound | J Med Chem 54: 8555-62 (2011) Article DOI: 10.1021/jm201090k BindingDB Entry DOI: 10.7270/Q2W95B6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-9 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 850 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado | Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... | Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-5 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado | Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... | Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-4 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 860 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado | Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... | Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado | Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... | Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-1 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado | Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... | Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Intestinal fatty acid-binding protein (hIFABP) (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 5.67E+4 | n/a | n/a | n/a | 8.0 | 37 |
Monash University | Assay Description ITC experiments were carried out using an iTC200 microcalorimeter (MicroCal) with coin shaped sample cell (200 μL) at 37 C with stirring at 1000... | ACS Chem Biol 9: 2526-34 (2014) Article DOI: 10.1021/cb5005178 BindingDB Entry DOI: 10.7270/Q2348J4C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prostaglandin-H2 D-isomerase (Mus musculus) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Research Group Curated by ChEMBL | Assay Description Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes | J Med Chem 34: 1099-110 (1991) BindingDB Entry DOI: 10.7270/Q24M955S | |||||||||||
More data for this Ligand-Target Pair |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
Intestinal fatty acid-binding protein (hIFABP) (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | GoogleScholar PDB | DrugBank KEGG PC cid PC sid PDB | -6.02 | -6.09 | 0.0717 | 4.24 | 8 | 37 | |
Monash University | ACS Chem Biol 9: 2526-34 (2014) |