BDBM10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine)

SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O

InChI Key InChIKey=ZFXYFBGIUFBOJW-UHFFFAOYSA-N

Data  177 KI  25 IC50  4 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 207 hits for monomerid = 10847   

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A(Human)
University of Dundee

LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 3.86E+5nMpH: 7.5 T: 2°CAssay Description:Phosphodiesterase 4A (PDE4A) was assayed using an Sf9-expressed GST-fusion, and activity was monitored by hydrolysis of [3H]cAMP to [3H]AMP using the...More data for this Ligand-Target Pair
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TargetChitotriosidase-1(Human)
University of Dundee

LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 5.00E+5nMpH: 5.5 T: 2°CAssay Description:The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...More data for this Ligand-Target Pair
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TargetEndochitinase B1(Neosartorya fumigata)
University of Dundee

LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 1.50E+6nMpH: 5.5 T: 2°CAssay Description:The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...More data for this Ligand-Target Pair
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TargetAdenosine receptor A2a(Human)
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataEC50:  2.82E+4nMAssay Description:Relaxant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.More data for this Ligand-Target Pair
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TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 2.43E+3nMAssay Description:Binding affinity against bovine brain adenosine A1 receptor using N6-[3H]- cyclohexyladenosineMore data for this Ligand-Target Pair
In DepthDetails Article
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LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of bovine heart Phosphodiesterase 1AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 2.80E+4nMAssay Description:Antagonism of adenosine A1 receptor assessed from the ability to inhibit binding of [3H]cyclohexyladenosine to rat cerebral cortical membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of binding towards adenosine A1 receptor using [3H]N-cyclohexyladenosine ([3H]CHA) in rat whole brain membranes.More data for this Ligand-Target Pair
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TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 2.00E+4nMAssay Description:Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]cyclohexyladenosine as a radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of adenosine binding to A1 receptor of rat brain homogenatesMore data for this Ligand-Target Pair
In DepthDetails Article
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LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 2.90E+6nMAssay Description:Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPhospholipase A-2-activating protein(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of PLAP by analogous luminescence assayMore data for this Ligand-Target Pair
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TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of TNAP by analogous luminescence assayMore data for this Ligand-Target Pair
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TargetIntestinal-type alkaline phosphatase(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of IAP by analogous luminescence assayMore data for this Ligand-Target Pair
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LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 2.10E+5nMAssay Description:Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of guinea pig ventricleMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 1.27E+4nMAssay Description:Binding affinity against bovine brain adenosine A1 receptor using N6-[3H]- cyclohexyladenosineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKd:  1.20E+4nMAssay Description:Dissociation constant against Adenosine A1 receptorMore data for this Ligand-Target Pair
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PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatumMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 3.60E+5nMAssay Description:Inhibition of low Km cyclic cAMP phosphodiesterase PDE III of guinea pig ventricleMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 3.20E+5nMAssay Description:Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of guinea pig ventricleMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 1.78E+6nMAssay Description:Inhibition of bovine heart cAMP-phosphodiesteraseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 9.20E+4nMAssay Description:Inhibition of bovine heart phosphodiesteraseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
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
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LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
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 Article
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LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 1.31E+5nMAssay 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 Article
PubMed
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
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 Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataIC50: 1.00E+5nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails Article
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TargetAdenosine receptor A2a(Human)
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKd:  3.63E+3nMAssay Description:Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cells assessed as dissociation constant by surface plasmon resonance...More data for this Ligand-Target Pair
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PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKd:  6.80E+6nMAssay Description:Binding affinity to human Notum (S81 to T451 residues) Cys330Ser mutant expressed in human HEK293T cells by SPR analysisMore data for this Ligand-Target Pair
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PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKd:  7.00E+6nMAssay Description:Binding affinity to human notum assessed as dissociation constant by thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity for adenosine A1 receptor by using as [3H]CPX iradioligand n membranes from Chinese hamster ovary cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2A cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  14nMAssay Description:Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  700nMAssay Description:Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  1.31E+3nMAssay Description:Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a RadioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  1.71E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  1.71E+3nMAssay Description:Antagonist activity at adenosine A2A receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  2.00E+3nMAssay Description:Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2b(Human)
Universidad De M£Laga

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  2.70E+3nMAssay Description:Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  3.80E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  3.80E+3nMAssay Description:Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  3.80E+3nMAssay Description:Displacement of [3H]CHA from adenosine A1 receptor in bovine brain membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  3.80E+3nMAssay Description:Displacement of [3H]CHA from adenosine A1 receptor in bovine cerebral cortical membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  3.80E+3nMAssay Description:Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  3.80E+3nMAssay Description:Displacement of [125I]DPCPX from adenosine A1 receptor in bovine brain membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  3.80E+3nMAssay Description:Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  3.80E+3nMAssay Description:Binding affinity against adenosine A1 receptor in bovine brain membranes by [3H]CHA displacement.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  4.20E+3nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAdenosine receptor A2a(Human)
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  4.20E+3nMAssay Description:Binding affinity to human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKi:  4.50E+3nMAssay Description:Antagonist binding of 2-chloro-[3H]-adenosine to rat brainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
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