BDBM50018159 4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid::8-(4-Carboxyphenyl)theophylline::CHEMBL11048

SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O

InChI Key InChIKey=VOGIMZNURUXDIJ-UHFFFAOYSA-N

Data  7 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50018159   

TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM50018159(8-(4-Carboxyphenyl)theophylline | CHEMBL11048 | 4-...)
Affinity DataIC50: 50nMAssay Description:Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM50018159(8-(4-Carboxyphenyl)theophylline | CHEMBL11048 | 4-...)
Affinity DataKi:  610nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2011
Entry Details
PubMed
TargetAdenosine receptor A2a/A2b(Human)
National Institutes of Health

Curated by ChEMBL
LigandPNGBDBM50018159(8-(4-Carboxyphenyl)theophylline | CHEMBL11048 | 4-...)
Affinity DataKi:  1.50E+3nMAssay Description:Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50018159(8-(4-Carboxyphenyl)theophylline | CHEMBL11048 | 4-...)
Affinity DataKi:  2.50E+3nMAssay Description:Antagonism of cyclic [3H]AMP accumulation elicited by 15 uM 2-chloroadenosine in [3H]adenine-labeled guinea pig cerebral cortical slices at A2 recept...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM50018159(8-(4-Carboxyphenyl)theophylline | CHEMBL11048 | 4-...)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM50018159(8-(4-Carboxyphenyl)theophylline | CHEMBL11048 | 4-...)
Affinity DataKi:  3.00E+3nMAssay Description:Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors on rat cortical membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50018159(8-(4-Carboxyphenyl)theophylline | CHEMBL11048 | 4-...)
Affinity DataKi:  3.00E+3nMAssay Description:Displacement of [3H]cyclohexyladen from A1 adenosine receptor derived from rat cerebral cortical membrane assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM50018159(8-(4-Carboxyphenyl)theophylline | CHEMBL11048 | 4-...)
Affinity DataKi:  7.26E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2011
Entry Details
PubMed