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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
34
hits in this display
Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
Ki: 0.190nM
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
Ki: 75nM
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
Ki: 86nM
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Copy SMILES
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Affinity Data
Ki: 180nM
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Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
Ki: 270nM
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Target
Fatty acid-binding protein, intestinal
(Homo sapiens (Human))
Monash University
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
Ki: 9.40E+3nM ΔG°: -54.5kJ/mole
T: 2°C
Assay Description:
Briefly, steady-state fluorescence spectra of ANS binding was monitored by measuring the increase in fluorescence signal between 450?550 nm following...
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3D Structure (crystal)
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Target
Fatty acid-binding protein, liver
(Rattus norvegicus (Rat))
Monash University (Parkville Campus)
Curated by
ChEMBL
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
Ki: 1.16E+4nM
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...
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Target
Fatty acid-binding protein, liver
(Rattus norvegicus (Rat))
Monash University (Parkville Campus)
Curated by
ChEMBL
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
Ki: 1.19E+5nM
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...
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Target
Albumin
(Homo sapiens (Human))
Molecular Discovery
Curated by
ChEMBL
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
Ki: 2.08E+5nM
Assay Description:
Binding affinity towards human serum albumin
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 120nM
Assay Description:
Inhibition of human COX2 measured after pre-incubation of enzyme with compound
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 140nM
Assay Description:
Inhibition of recombinant human COX2 using arachidonic acid as substrate measured after 2 to 5 mins
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Target
Prostaglandin-H2 D-isomerase
(Mus musculus)
Sterling Research Group
Curated by
ChEMBL
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 230nM
Assay Description:
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes
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Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50391240
(CHEBI:76228 | CHEMBL496240)
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Affinity Data
IC50: 460nM
Assay Description:
Inhibition of human COX1
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Target
Caspase-9
(Homo sapiens (Human))
University of Colorado
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 850nM
pH: 7.4
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...
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Target
Caspase-4
(Homo sapiens (Human))
University of Colorado
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 860nM
pH: 7.4
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...
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Caspase-5
(Homo sapiens (Human))
University of Colorado
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 1.00E+3nM
pH: 7.4
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...
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Target
Cell division control protein 42 homolog/Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human))
Kagoshima University
Curated by
ChEMBL
Ligand
BDBM50234661
(CHEBI:76227 | CHEMBL1619630)
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Affinity Data
IC50: 1.00E+3nM
Assay Description:
Inhibition of RAC1/CDC42 in human ovarian cancer cells
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Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 1.23E+3nM
Assay Description:
Inhibition of human COX1
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50391240
(CHEBI:76228 | CHEMBL496240)
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Affinity Data
IC50: 1.46E+3nM
Assay Description:
Inhibition of human COX2
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Target
Cell division control protein 42 homolog/Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human))
Kagoshima University
Curated by
ChEMBL
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 2.00E+3nM
Assay Description:
Inhibition of RAC1/CDC42 in human ovarian cancer cells
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Target
Caspase-3
(Homo sapiens (Human))
University of Colorado
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 2.50E+3nM
pH: 7.4
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...
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Target
ATP-binding cassette sub-family C member 4
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 2.70E+3nM
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...
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 3.50E+3nM
Assay Description:
Inhibition of human COX2
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Target
Caspase-1
(Homo sapiens (Human))
University of Colorado
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 1.80E+4nM
pH: 7.4
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...
More data for this Ligand-Target Pair
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Target
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human))
Kagoshima University
Curated by
ChEMBL
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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IC50: 3.60E+4nM
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...
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Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: 6.05E+4nM
Assay Description:
Instantaneous inhibition of human COX2 measured immediately after incubation of enzyme with compound
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Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50234661
(CHEBI:76227 | CHEMBL1619630)
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Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of human COX2
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Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50234661
(CHEBI:76227 | CHEMBL1619630)
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Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of human COX1
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Target
Bile salt export pump
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: >1.33E+5nM
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 ...
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Target
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: >1.33E+5nM
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...
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ATP-binding cassette sub-family C member 3
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
IC50: >1.33E+5nM
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 ...
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antibodypedia
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Target
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human))
TBA
Ligand
BDBM50391240
(CHEBI:76228 | CHEMBL496240)
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Affinity Data
EC50: 574nM
Assay Description:
In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrate
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Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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Target
Cell division control protein 42 homolog
(Homo sapiens (Human))
TBA
Ligand
BDBM50391240
(CHEBI:76228 | CHEMBL496240)
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Affinity Data
EC50: 1.07E+3nM
Assay Description:
In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrate
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
PubMed
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Target
Fatty acid-binding protein, intestinal
(Homo sapiens (Human))
Monash University
Ligand
BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
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Affinity Data
Kd: 5.67E+4nM
pH: 8.0 T: 2°C
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...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
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