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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
75
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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
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
Ki: 1.21E+3nM
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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
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
Ki: 1.90E+3nM
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Target
Ras-related protein Rab-7a
(Canis lupus familiaris)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
Ki: 2.70E+3nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Prostaglandin D2 receptor 2
(Homo sapiens (Human))
Oxagen
Curated by
ChEMBL
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
Ki: 3.50E+3nM
Assay Description:
Binding affinity towards human CRTH2 receptor expressed in CHO cells
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Target
Ras-related C3 botulinum toxin substrate 1
(Mus musculus)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
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Affinity Data
Ki: 4.24E+3nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Ras-related C3 botulinum toxin substrate 1
(Mus musculus)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Copy SMILES
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Affinity Data
Ki: 4.85E+3nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Ras-related C3 botulinum toxin substrate 1
(Mus musculus)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
Ki: 5.11E+3nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Cell division control protein 42 homolog
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
Ki: 7.52E+3nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target Info
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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
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
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Affinity Data
Ki: >1.00E+4nM
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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
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
Copy SMILES
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Affinity Data
Ki: >1.00E+4nM
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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
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Copy SMILES
Copy InChI
Affinity Data
Ki: >1.00E+4nM
More data for this Ligand-Target Pair
Target Info
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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
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
Copy SMILES
Copy InChI
Affinity Data
Ki: >1.00E+4nM
More data for this Ligand-Target Pair
Target Info
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Copy BDB DOI
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
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
Copy SMILES
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Affinity Data
Ki: >1.00E+4nM
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Copy BDB DOI
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
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
Copy SMILES
Copy InChI
Affinity Data
Ki: >1.00E+4nM
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Target
Albumin
(Homo sapiens (Human))
Molecular Discovery
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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Affinity Data
Ki: 2.63E+4nM
Assay Description:
Binding affinity towards human serum albumin
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Target
Lactoylglutathione lyase
(Homo sapiens (Human))
Sun Yat-Sen University
Curated by
ChEMBL
Ligand
BDBM50012899
((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...)
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Affinity Data
Ki: 7.79E+4nM
Assay Description:
Inhibition of glyoxalase 1
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Target
Lactoylglutathione lyase
(Homo sapiens (Human))
Sun Yat-Sen University
Curated by
ChEMBL
Ligand
BDBM50012899
((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...)
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Affinity Data
Ki: 1.39E+5nM
Assay Description:
Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis
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Target
Prostaglandin G/H synthase 1
(Ovis aries (Sheep))
Zafes/Liff/Goethe University Frankfurt
Curated by
ChEMBL
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
IC50: 50nM
Assay Description:
Inhibition of ovine COX1 after 5 mins
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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
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Copy SMILES
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Affinity Data
IC50: 100nM
Assay Description:
Inhibition of human recombinant COX2 after 5 mins
More data for this Ligand-Target Pair
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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
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Copy SMILES
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Affinity Data
IC50: 115nM
Assay Description:
Inhibition of COX1
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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
BDBM50272862
((E)-2'-des-methyl sulindac sulfide | 2-desmethylsu...)
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Affinity Data
IC50: 116nM
Assay Description:
Inhibition of COX-1 in human OVCAR3 cells using [14C] arachidonic acid as substrate preincubated for 30 mins before substrate addition measured after...
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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
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Copy SMILES
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Affinity Data
IC50: 140nM
Assay Description:
Inhibition of COX2
More data for this Ligand-Target Pair
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Target
Prostaglandin G/H synthase 2
(Mus musculus (Mouse))
Vanderbilt University School Of Medicine
Curated by
ChEMBL
Ligand
BDBM50293599
((Z)-2'-des-methyl sulindac sulfide | CHEMBL561959)
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Affinity Data
IC50: 147nM
Assay Description:
Competitive inhibition of mouse COX2 under reduced substrate concentration by TLC
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Target
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle))
Comsats Institute Of Information Technology
Ligand
BDBM50012899
((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...)
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Affinity Data
IC50: 293nM
Assay Description:
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...
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Target
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human))
TBA
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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Affinity Data
IC50: 374nM
Assay Description:
Inhibition of Homo sapiens (human) aldose reductase
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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
BDBM50293599
((Z)-2'-des-methyl sulindac sulfide | CHEMBL561959)
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Affinity Data
IC50: 375nM
Assay Description:
Competitive inhibition of ovine COX1 under reduced substrate concentration by TLC
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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
BDBM50272862
((E)-2'-des-methyl sulindac sulfide | 2-desmethylsu...)
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Affinity Data
IC50: 1.80E+3nM
Assay Description:
Inhibition of COX1
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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
BDBM50272862
((E)-2'-des-methyl sulindac sulfide | 2-desmethylsu...)
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Affinity Data
IC50: 1.80E+3nM
Assay Description:
Inhibition of ovine COX-1 using [14C] arachidonic acid as substrate preincubated for 17 mins before substrate addition measured after 3 mins by thin-...
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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
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
IC50: 1.90E+3nM
Assay Description:
Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by microplate reader...
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Target
Aldo-keto reductase family 1 member B10 [K125R,V301L]
(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire
Ligand
BDBM50012899
((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...)
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Affinity Data
IC50: 2.69E+3nM
pH: 7.0
Assay Description:
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...
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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
BDBM50272862
((E)-2'-des-methyl sulindac sulfide | 2-desmethylsu...)
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Affinity Data
IC50: >4.00E+3nM
Assay Description:
Inhibition of COX2
More data for this Ligand-Target Pair
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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
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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Affinity Data
IC50: 8.80E+3nM
Assay Description:
Inhibition of recombinant human COX-2 preincubated for 15 mins by fluorescence analysis
More data for this Ligand-Target Pair
Target Info
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Epidermal growth factor receptor
(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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IC50: >1.00E+4nM
Assay Description:
Inhibition of EGFR (unknown origin) using tyrosine 4 as substrate by fluorescence analysis
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Prostaglandin G/H synthase 1
(Ovis aries (Sheep))
Zafes/Liff/Goethe University Frankfurt
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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Affinity Data
IC50: 1.60E+4nM
Assay Description:
Inhibition of Ovine COX-1 preincubated for 15 mins by fluorescence analysis
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Target
Presenilin-1
(Homo sapiens (Human))
Okayama University Graduate School Of Medicine
Curated by
ChEMBL
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
IC50: 5.30E+4nM
Assay Description:
Inhibition of gamma-secretase in HEK293 cells co-overexpressing NotchdeltaE assessed as inhibition of notch cleavage by luciferase reporter gene assa...
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Presenilin-1
(Homo sapiens (Human))
Okayama University Graduate School Of Medicine
Curated by
ChEMBL
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
IC50: 5.71E+4nM
Assay Description:
Displacement of [3H]L685458 from gamma-secretase in human THP1 cells
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Target
Bile salt export pump
(Homo sapiens (Human))
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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Affinity Data
IC50: 6.37E+4nM
Assay Description:
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...
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Target
Prostaglandin E synthase
(Homo sapiens (Human))
University Of Kentucky
Curated by
ChEMBL
Ligand
BDBM50012899
((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...)
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IC50: 8.00E+4nM
Assay Description:
Inhibition of microsomal PGES
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Target
Presenilin-1
(Homo sapiens (Human))
Okayama University Graduate School Of Medicine
Curated by
ChEMBL
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
IC50: 8.25E+4nM
Assay Description:
Inhibition of gamma-secretase in HEK293 cells co-overexpressing APP Swedish mutant assessed as inhibition of amyloid beta 42 production by luciferase...
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Target
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human))
Xiamen University
Curated by
ChEMBL
Ligand
BDBM50012899
((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...)
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Affinity Data
IC50: 8.29E+4nM
Assay Description:
Displacement of [3H]-9-cis-RA from RXRalpha (unknown origin) by liquid scintillation counting
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Target
Bile salt export pump
(Rattus norvegicus)
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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IC50: 8.75E+4nM
Assay Description:
Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...
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Target
Polyunsaturated fatty acid 5-lipoxygenase
(Rattus norvegicus)
Warner-Lambert
Curated by
ChEMBL
Ligand
BDBM50012899
((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...)
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Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of 5-lipoxygenase in intact RBL-1 cell line
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Target
ATP-binding cassette sub-family C member 4
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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Affinity Data
IC50: >1.33E+5nM
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
ATP-binding cassette sub-family C member 3
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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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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Target
Bile salt export pump
(Homo sapiens (Human))
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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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
Bile salt export pump
(Homo sapiens (Human))
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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Affinity Data
IC50: >1.35E+5nM
Assay Description:
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...
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Target
Presenilin-1
(Homo sapiens (Human))
Okayama University Graduate School Of Medicine
Curated by
ChEMBL
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
IC50: 2.15E+5nM
Assay Description:
Inhibition of gamma-secretase in HEK293 cells co-overexpressing APP Swedish mutant assessed as inhibition of amyloid beta 40 production by luciferase...
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Target
Bile salt export pump
(Homo sapiens (Human))
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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Affinity Data
IC50: 2.26E+5nM
Assay Description:
Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake
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Target
Presenilin-1
(Homo sapiens (Human))
Okayama University Graduate School Of Medicine
Curated by
ChEMBL
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
IC50: 3.32E+5nM
Assay Description:
Displacement of [3H]IN973 from gamma-secretase in human THP1 cells
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Target
GTPase KRas [1-37]
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
GTPase KRas [1-37]
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Ras-related protein Rab-2A
(Canis lupus familiaris)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
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Target
Ras-related protein Rab-2A
(Canis lupus familiaris)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Cell division control protein 42 homolog
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Cell division control protein 42 homolog
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
EC50: 4.86E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Cell division control protein 42 homolog
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
Copy SMILES
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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Target
Cell division control protein 42 homolog
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Copy SMILES
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Ras-related protein Rab-7a
(Canis lupus familiaris)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
Copy SMILES
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Ras-related protein Rab-7a
(Canis lupus familiaris)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Copy SMILES
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Affinity Data
EC50: 4.12E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
Target Info
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Target
GTPase KRas [1-37]
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
Copy SMILES
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
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Target
GTPase KRas [1-37]
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
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UniProtKB/TrEMBL
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Target
Ras-related C3 botulinum toxin substrate 1
(Mus musculus)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
Copy SMILES
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Affinity Data
EC50: 4.67E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Ras-related C3 botulinum toxin substrate 1
(Mus musculus)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Copy SMILES
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Affinity Data
EC50: 5.33E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
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Copy BDB DOI
Target
Ras-related C3 botulinum toxin substrate 1
(Mus musculus)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM54707
(2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylp...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Ras-related C3 botulinum toxin substrate 1
(Mus musculus)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
EC50: 5.47E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
Target Info
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Target
Glycine receptor subunit alpha-1
(Homo sapiens (Human))
University Of Pittsburgh
Curated by
ChEMBL
Ligand
BDBM50012899
((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...)
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Affinity Data
EC50: 380nM
Assay Description:
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...
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Target
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
Vanderbilt University Center For Structural Biology
Curated by
ChEMBL
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
EC50: 800nM
Assay Description:
Agonist activity at PPARgamma expressed in human HCA7 cells assessed as induction of peroxisome proliferator response element after 12 hrs by lucifer...
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Target
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
Vanderbilt University Center For Structural Biology
Curated by
ChEMBL
Ligand
BDBM50273066
((E)-2-(5-Fluoro-1-((4-(methylthio)biphenyl-4-yl)me...)
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Affinity Data
EC50: 1.50E+3nM
Assay Description:
Agonist activity at PPARgamma expressed in human HCA7 cells assessed as induction of peroxisome proliferator response element after 12 hrs by lucifer...
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Target Info
PDB
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Target
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
Vanderbilt University Center For Structural Biology
Curated by
ChEMBL
Ligand
BDBM50272901
((E)-2-(5-Fluoro-1-(4-(methylsulfonyl)benzylidene)-...)
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Affinity Data
EC50: >1.00E+4nM
Assay Description:
Agonist activity at PPARgamma expressed in human HCA7 cells assessed as induction of peroxisome proliferator response element after 12 hrs by lucifer...
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
Vanderbilt University Center For Structural Biology
Curated by
ChEMBL
Ligand
BDBM50272861
((E)-2-(5-Fluoro-1-(4-(methylsulfinyl)benzylidene)-...)
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Affinity Data
EC50: >1.00E+4nM
Assay Description:
Agonist activity at PPARgamma expressed in human HCA7 cells assessed as induction of peroxisome proliferator response element after 12 hrs by lucifer...
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
Vanderbilt University Center For Structural Biology
Curated by
ChEMBL
Ligand
BDBM50272862
((E)-2'-des-methyl sulindac sulfide | 2-desmethylsu...)
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Affinity Data
EC50: 700nM
Assay Description:
Agonist activity at PPARgamma expressed in human HCA7 cells assessed as induction of peroxisome proliferator response element after 12 hrs by lucifer...
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Target Info
PDB
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Target
Complement C5
(Homo sapiens)
Indian Institute Of Technology Bhubaneswar
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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Affinity Data
Kd: 570nM
Assay Description:
Binding affinity to human C5a assessed as dissociation constant after 1 hr by circular dichroism analysis
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Target
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
Vanderbilt University Center For Structural Biology
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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Affinity Data
EC50: 2.27E+4nM
Assay Description:
Partial agonist activity at GAL4 DBD-fused PPARgamma LBD (unknown origin) expressed in pG5 luc and pBIND transfected HEK293T cells assessed as transc...
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Target Info
PDB
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Target
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
Vanderbilt University Center For Structural Biology
Curated by
ChEMBL
Ligand
BDBM50110164
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
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Affinity Data
EC50: 800nM
Assay Description:
Partial agonist activity at GAL4 DBD-fused PPARgamma LBD (unknown origin) expressed in pG5 luc and pBIND transfected HEK293T cells assessed as transc...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
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DrugBank
antibodypedia
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Article
PubMed
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
Vanderbilt University Center For Structural Biology
Curated by
ChEMBL
Ligand
BDBM50103504
(CHEBI:9352 | Clinoril | Sulindac)
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Affinity Data
Kd: >1.00E+5nM
Assay Description:
Binding affinity to GAL4-DBD-fused PPARgamma ligand binding domain (unknown origin) expressed in HEK293T cells by spectra-fluorophotometry analysis
More data for this Ligand-Target Pair
Target Info
PDB
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