BDBM85511 CAS_74103-07-4::KETOROLAC::Ketorolac tris salt::Toradol

SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1

InChI Key InChIKey=OZWKMVRBQXNZKK-UHFFFAOYSA-N

Data  9 KI  17 IC50  1 Kd  1 ITC

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 85511   

TargetCaspase-4(Homo sapiens (Human))
University of Colorado

LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  860nMpH: 7.4Assay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-5(Homo sapiens (Human))
University of Colorado

LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  1.00E+3nMpH: 7.4Assay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-9(Homo sapiens (Human))
University of Colorado

LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  850nMpH: 7.4Assay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin-H2 D-isomerase(Mus musculus)
Sterling Research Group

Curated by ChEMBL
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  230nMAssay Description:Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  1.23E+3nMAssay Description:Inhibition of human COX1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  120nMAssay Description:Inhibition of human COX2 measured after pre-incubation of enzyme with compoundMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  6.05E+4nMAssay Description:Instantaneous inhibition of human COX2 measured immediately after incubation of enzyme with compoundMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  140nMAssay Description:Inhibition of recombinant human COX2 using arachidonic acid as substrate measured after 2 to 5 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of RAC1/CDC42 in human ovarian cancer cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase PAK 1(Homo sapiens (Human))
Kagoshima University

Curated by ChEMBL
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  3.60E+4nMAssay Description:Inhibition of PAK1 in human A549 cells using myelin basic protein as substrate preincubated for 24 hrs followed by PAK1 immunoprecipation and substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  2.70E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50: >1.33E+5nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50: >1.33E+5nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of human COX2More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetCaspase-1(Homo sapiens (Human))
University of Colorado

LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  1.80E+4nMpH: 7.4Assay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
University of Colorado

LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Affinity DataIC50:  2.50E+3nMpH: 7.4Assay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 85511   

CellIntestinal fatty acid-binding protein (hIFABP)(Homo sapiens (Human))
Monash University

SyringePNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
ITC DataΔG°: -6.02kcal/mole −TΔS°: -6.09kcal/mole ΔH°: 0.0717kcal/mole logk: 1.76E+4
pH: 8.0 T: 37.00°C