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  13 IC50  1 Kd

PDB links: 6 PDB IDs match this monomer.

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 40 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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  50nMAssay Description:Antagonist binding of 2-chloro-[3H]-adenosine to rat brainMore data for this Ligand-Target Pair
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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  800nMAssay Description:Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brainMore data for this Ligand-Target Pair
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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  2.00E+3nMAssay Description:Antagonist binding of 2-chloro-[3H]-adenosine to rat brainMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  2.50E+3nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  3.00E+3nMAssay Description:Antagonist binding of rN6-cyclohexyl-[3H]adenosine to rat brainMore data for this Ligand-Target Pair
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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  3.09E+3nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  3.20E+3nMMore data for this Ligand-Target Pair
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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  5.00E+3nMAssay Description:Antagonist binding of 2-chloro-[3H]-adenosine to rat brainMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institutes of Health

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
TargetAdenosine receptor A1(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  7.00E+3nMAssay Description:Antagonist binding of N6-cyclohexyl-[3H]-adenosine to bovine brainMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(GUINEA PIG)
TBA

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
TargetAdenosine receptor A2a(GUINEA PIG)
TBA

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  8.00E+3nMAssay Description:Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brainMore data for this Ligand-Target Pair
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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  8.40E+3nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
TargetAdenosine receptor A2a(Homo sapiens (Human))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKi:  2.00E+4nMAssay Description:Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fatMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of human lungMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase [1-660,682-875](Homo sapiens (Human))
University of North Carolina at Chapel Hill

LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataIC50: 9.50E+4nMpH: 7.8 T: 2°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](Homo sapiens (Human))
University of North Carolina at Chapel Hill

LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataIC50: 5.30E+3nMpH: 7.8 T: 2°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](Homo sapiens (Human))
University of North Carolina at Chapel Hill

LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataIC50: 2.10E+3nMpH: 7.8 T: 2°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](Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataIC50: 242nMpH: 7.5 T: 2°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
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human lungMore data for this Ligand-Target Pair
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataIC50: 100nMAssay Description:Evaluated for Ca++ dependent phosphodiesterase activity. More data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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(Homo sapiens (Human))
Institute of Pharmaceutical Chemistry

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataIC50: 6.80E+4nMpH: 7.5 T: 2°CAssay Description:Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.More data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM15336(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataKd:  5.90E+3nMAssay Description:Dissociation constant against Adenosine A1 receptorMore data for this Ligand-Target Pair
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-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of Phosphodiesterase 2 from pig coronary arteryMore data for this Ligand-Target Pair