BDBM50020847 8-(2-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-(2-Aminophenyl)theophylline::CHEMBL11120

SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1N

InChI Key InChIKey=PFYRHBKLMLLPGV-UHFFFAOYSA-N

Data  4 KI  2 IC50

  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 6 hits for monomerid = 50020847   

TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50020847(8-(2-Aminophenyl)theophylline | CHEMBL11120 | 8-(2...)
Affinity DataIC50: 5.5nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM50020847(8-(2-Aminophenyl)theophylline | CHEMBL11120 | 8-(2...)
Affinity DataIC50: 5.5nMAssay 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)
TBA

Curated by ChEMBL
LigandPNGBDBM50020847(8-(2-Aminophenyl)theophylline | CHEMBL11120 | 8-(2...)
Affinity DataKi:  82.9nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2011
Entry Details
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50020847(8-(2-Aminophenyl)theophylline | CHEMBL11120 | 8-(2...)
Affinity DataKi:  850nMAssay 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 A2a(Human)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM50020847(8-(2-Aminophenyl)theophylline | CHEMBL11120 | 8-(2...)
Affinity DataKi:  1.43E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2011
Entry Details
PubMed
TargetAdenosine receptor A2a(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50020847(8-(2-Aminophenyl)theophylline | CHEMBL11120 | 8-(2...)
Affinity DataKi:  1.70E+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