BDBM82023 4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid::8-SPT::CAS_80206-91-3::CHEMBL8488::NSC_1908

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

InChI Key InChIKey=LXJSJIXZOAMHTG-UHFFFAOYSA-N

Data  22 KI  3 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 25 hits for monomerid = 82023   

TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataIC50: 448nMAssay Description:Binding affinity against rat brain adenosine A1 receptor 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(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataIC50: 22nMAssay 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
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataIC50: 22nMAssay 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(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.00E+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)
TBA

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.00E+3nMAssay Description:Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]PIA as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.33E+3nMAssay Description:Displacement of [125I]ABOPX from human recombinant adenosine A2B receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.33E+3nMAssay Description:Binding affinity for human HEK293 adenosine A2B receptor using [125I]ABOPX in CHO cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.33E+3nMAssay Description:Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.50E+3nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  2.60E+3nMAssay Description:Binding affinity for Adenosine A1 receptor using [3H]- CHA or [3H]- PIAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  2.63E+3nMMore 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
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  4.50E+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 A2a/A2b(Rat)
National Institutes of Health

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  5.00E+3nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a/A2b(Human)
National Institutes of Health

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  5.50E+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(Rat)
National Institutes of Health

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  5.80E+3nMAssay Description:Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]CGS-21680More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  5.89E+3nMAssay Description:Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cellsMore 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
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  6.30E+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 A2a(Human)
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2011
Entry Details
PubMed
TargetAdenosine receptor A3(Rabbit)
Pfizer

Curated by PDSP Ki Database
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2012
Entry Details
PubMed
TargetAdenosine receptor A2a(Rat)
National Institutes of Health

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2011
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.10E+4nMAssay Description:Binding affinity for human adenosine A3 receptor using [3H]-PBS-11 in CHO cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.40E+4nMAssay Description:Displacement of [3H]R-PIA from adenosine A1 receptor in rat brain cortical membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institutes of Health

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.40E+4nMAssay Description:Displacement of [3H]R-PIA from adenosine A2A receptor in rat brain striatal membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.40E+4nMAssay Description:Binding affinity for adenosine A1 receptor using [3H]PIA in rat brain cortical membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institutes of Health

Curated by ChEMBL
LigandPNGBDBM82023(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  1.40E+4nMAssay Description:Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed