BDBM50008405 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetic acid::CHEMBL27041::[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid::[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid

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

InChI Key InChIKey=QTMMGCYGCFXBFI-UHFFFAOYSA-N

Data  23 KI  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50008405   

TargetAdenosine receptor A1(Bovine)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKd:  17nMAssay Description:Binding affinity for adenosine A1 receptor as inhibition of [125-I]-labeled aminobenzyl adenosine binding to bovine brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a/A2b(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  34nMAssay Description:Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  39.8nMAssay Description:Binding affinity to recombinant human adenosine A2B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  40nMAssay 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 A2b(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  40nMAssay Description:Antagonist activity against human A2B adenosine receptor expressed in HEK293 cells uisng [3H]ZM-241385 or [125I]-IABOPXMore 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
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  50nMAssay Description:Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.More 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
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  58nMAssay Description:Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]R-PIA radioligand.More 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
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  58nMAssay Description:Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes with 1 nM [3H]cyclohexyladenosineMore 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
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  58nMAssay Description:Displacement of [3H]PIA from adenosine A1 receptors of rat brain 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
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  58nMAssay 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
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  58nMAssay Description:Inhibition of 1 nM [3H]N-6-(phenylisopropyl)adenosine binding to A1 receptors in rat cortical membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  63.1nMAssay Description:Binding affinity to rat adenosine A1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  175nMAssay Description:Antagonist activity against recombinant human adenosine A1 receptor expressed in HEK293 cells in presence of [125I]IABA radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  595nMAssay Description:Antagonist activity against recombinant human adenosine A2A receptor expressed in HEK293 cells in presence of [125I]iodo-ZM-241385 radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a/A2b(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  800nMAssay Description:Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human plateletsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  851nMAssay Description:Binding affinity to recombinant human adenosine A2A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  2.20E+3nMAssay Description:Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Niddk

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  2.20E+3nMAssay Description:Inhibition of binding of [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  2.20E+3nMAssay Description:Antagonist activity against adenosine A2A receptor in rat striatal membrane in presence of [3H]CGS-21680 radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  2.24E+3nMAssay Description:Binding affinity to rat adenosine A2A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  3.91E+3nMAssay Description:Antagonist activity against human adenosine A3 receptor expressed in HEK cells in presence of [125]IAB-MECA or [125I]IABA radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  3.98E+3nMAssay Description:Binding affinity to recombinant human adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  7.57E+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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50008405(CHEMBL27041 | 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...)
Affinity DataKi:  7.57E+4nMAssay Description:Antagonist activity against rat adenosine A3 receptor using [125I]I-AB-MECA or [125 I]IABAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed