BDBM15336 1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione::3-Isobutyl-1-methylxanthine::CHEMBL275084::IBMX::isobutylmethylxanthine

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

InChI Key InChIKey=APIXJSLKIYYUKG-UHFFFAOYSA-N

Data  26 KI  12 IC50  1 Kd

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 15336   

LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  800nMAssay Description:Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  2.00E+3nMAssay Description:Antagonist binding of 2-chloro-[3H]-adenosine to rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  2.46E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  2.50E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  2.50E+3nMAssay Description:Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  3.00E+3nMAssay Description:Antagonist binding of rN6-cyclohexyl-[3H]adenosine to rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Rat)
University of Tennessee

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  3.09E+3nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  3.20E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  5.00E+3nMAssay Description:Antagonist binding of 2-chloro-[3H]-adenosine to rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  5.00E+3nMAssay Description:Antagonist binding of 2-chloro-[3H]-adenosine to rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rat)
National Institutes of Health

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  5.80E+3nMAssay Description:Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  6.30E+3nMAssay Description:Antagonism of N-ethylcarboxamido adenosine-stimulated adenylate cyclase associated with stimulation of Adenosine A2 receptor of rat PC12 membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  6.70E+3nMAssay Description:Binding affinity for Adenosine A1 receptor from rat brain using [3H]-PIA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  7.00E+3nMAssay Description:Ability to inhibit binding of 1 nM [3H]-cyclohexyladenosine to adenosine A1 receptor in rat cerebral cortical membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  7.00E+3nMAssay Description:Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  7.00E+3nMAssay Description:Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  7.00E+3nMAssay Description:Antagonist binding of N6-cyclohexyl-[3H]-adenosine to bovine brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  8.00E+3nMAssay Description:Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  8.00E+3nMAssay Description:Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Rat)
University of Tennessee

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  8.40E+3nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  9.10E+3nMAssay Description:Binding affinity for Adenosine A2 receptor from rat striatum using [3H]NECA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Human)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Human)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a/A2b(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  1.38E+4nMAssay Description:Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  1.60E+4nMAssay Description:Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]5'-(N-ethylcarboxamido)-adenosine (NECA) as the ligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKi:  2.00E+4nMAssay Description:Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fatMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of human lungMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcGMP-specific 3',5'-cyclic phosphodiesterase [1-660,682-875](Human)
University of North Carolina At Chapel Hill

LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50:  9.50E+4nMpH: 7.8 T: 24°CAssay Description:Enzymatic activity of the isolated catalytic domains of wild type PDE5A1 and its deletion mutants was assayed by using [3H]cGMP as substrate in a rea...More data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase [1-662,679-875](Human)
University of North Carolina At Chapel Hill

LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50:  5.30E+3nMpH: 7.8 T: 24°CAssay Description:Enzymatic activity of the isolated catalytic domains of wild type PDE5A1 and its deletion mutants was assayed by using [3H]cGMP as substrate in a rea...More data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase [535-860](Human)
University of North Carolina At Chapel Hill

LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50:  2.10E+3nMpH: 7.8 T: 24°CAssay Description:Enzymatic activity of the isolated catalytic domains of wild type PDE5A1 and its deletion mutants was assayed by using [3H]cGMP as substrate in a rea...More data for this Ligand-Target Pair
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3B [654-1073](Human)
Merck Research Laboratories

LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50:  242nMpH: 7.5 T: 22°CAssay Description:PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...More data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50:  7.00E+3nMAssay Description:Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataKd:  5.90E+3nMAssay Description:Dissociation constant against Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50:  100nMAssay Description:Evaluated for Ca++ dependent phosphodiesterase activity. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50:  1.30E+4nMAssay Description:Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human PDE9A expressed in Escherichia coli BL21 by liquid scintillation countingMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Human)
Institute of Pharmaceutical Chemistry

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50:  6.30E+4nMAssay Description:Inhibition of PDE5 from plateletsMore data for this Ligand-Target Pair
TargetPhosphodiesterase(Trypanosoma cruzi)
University of North Carolina

LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50:  6.80E+4nMpH: 7.5 T: 24°CAssay Description:Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Affinity DataIC50:  3.40E+3nMAssay Description:Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human lungMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed