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
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 8 hits for monomerid = 50018159   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM50018159(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  610nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
National Institutes Of Health

Curated by ChEMBL
LigandPNGBDBM50018159(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
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 DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(GUINEA PIG)
TBA

Curated by ChEMBL
LigandPNGBDBM50018159(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  2.50E+3nMAssay Description:Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM50018159(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
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 DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50018159(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  3.00E+3nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM50018159(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
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 DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM50018159(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  7.26E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(BOVINE)
TBA

Curated by ChEMBL
LigandPNGBDBM50018159(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataIC50:  50nMAssay Description:Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosineChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed