Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prostaglandin 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 MCE 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 | |||||||||||||
Prostaglandin 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 MCE KEGG PC cid PC sid PDB UniChem Similars | DrugBank Article 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) Article DOI: 10.1016/j.ejmech.2016.11.038 BindingDB Entry DOI: 10.7270/Q2T72KP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
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 MCE 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 | |||||||||||||
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 MCE 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-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 MCE 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-5 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE 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 | |||||||||||||
Prostaglandin G/H synthase 1 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cell division control protein 42 homolog/Ras-related C3 botulinum toxin substrate 1 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article 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) Article DOI: 10.1016/j.ejmech.2016.11.038 BindingDB Entry DOI: 10.7270/Q2T72KP7 | |||||||||||
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 MCE 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 | |||||||||||||
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article 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) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin 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 MCE KEGG PC cid PC sid PDB UniChem Similars | DrugBank | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details | ||||||||||||
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 MCE 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 | |||||||||||||
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article 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) Article DOI: 10.1016/j.ejmech.2016.11.038 BindingDB Entry DOI: 10.7270/Q2T72KP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin 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 MCE 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 | |||||||||||||
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article 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) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human)) | BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article 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) Article DOI: 10.1093/toxsci/kft176 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 MCE KEGG PC cid PC sid PDB UniChem Similars | Article 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) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair |