BDBM50018162 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid::4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid:1/4 moles H2O::4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid::CHEMBL418333

SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O

InChI Key InChIKey=IWALGNIFYOBRKC-UHFFFAOYSA-N

Data  22 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50018162   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  140nMAssay Description:Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  140nMAssay 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(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  140nMAssay Description:Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  183nMAssay Description:Binding affinity for human adenosine A3 receptor using [3H]-PBS-11 in CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  183nMAssay Description:Displacement of [125I]AB-MECA from sheep adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  210nMAssay Description:Binding affinity of the compound against A1 adenosine receptors of the central nervous systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  210nMAssay 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 A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  210nMAssay Description:Displacement of [3H]R-PIA from adenosine A1 receptor in rat brain cortical membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  210nMAssay Description:Binding affinity for adenosine A1 receptor using [3H]-PIA in rat brain cortical membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  250nMAssay Description:Displacement of [125I]ABOPX from human recombinant adenosine A2B receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  250nMAssay Description:Binding affinity for human adenosine A2B receptor using [3H]-PSB-298 in CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  250nMAssay Description:Antagonist activity against human Adenosine A2b receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  430nMAssay Description:Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  710nMAssay Description:Binding affinity against A2 adenosine receptors of the central nervous systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(GUINEA PIG)
TBA

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  710nMAssay 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 A2a(Rattus norvegicus (rat))
National Institutes Of Health

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  790nMAssay Description:Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institutes Of Health

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  790nMAssay Description:Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institutes Of Health

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.40E+3nMAssay Description:Displacement of [3H]R-PIA from adenosine A2A receptor in rat brain striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institutes Of Health

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.40E+3nMAssay Description:Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
National Institutes Of Health

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.90E+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 A2a/A2b(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.10E+4nMAssay Description:Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via Adenosine A2 receptor in rat PC12 membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  9.01E+4nMAssay Description:Displacement of [125I]-AB-MECA from membranes of CHO cells stably transfected with the rat adenosine A3 receptor cDNAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(BOVINE)
TBA

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataIC50:  3.40nMAssay 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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50018162(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataIC50:  120nMAssay Description:Binding affinity against rat brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine as radioligandChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed