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 15 hits for monomerid = 15336   

TargetAdenosine receptor A1/A2a/A2b/A3(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
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
TargetAdenosine receptor A1/A2a/A2b/A3(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
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(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/A2a/A2b/A3(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
TBA

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
TargetAdenosine receptor A1/A2a/A2b/A3(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
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 A1/A2a/A2b/A3(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
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 A1(Rattus norvegicus (rat))
TBA

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(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
TargetAdenosine receptor A2a(Homo sapiens (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 A1/A2a/A2b/A3(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
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
TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
TBA

Curated by ChEMBL
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
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