BDBM50042209 4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid::4-(2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid::CHEMBL8565

SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O

InChI Key InChIKey=UYDRRQPGDSIMNU-UHFFFAOYSA-N

Data  27 KI

  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 27 hits for monomerid = 50042209   

TargetAdenosine receptor A2b(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  53nMAssay Description:Displacement of [3H]ZM241385 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 30 mins by scintillation co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  53nMAssay Description:Displacement of [3H]ZM241385 from human recombinant Adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  53nMAssay Description:Displacement of [3H]ZM241385 from human recombinant adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  53nMAssay Description:Antagonist activity at human A2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  53.4nMAssay Description:Displacement of [3H]ZM241385 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))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  53.4nMAssay Description:Binding affinity for human adenosine A2B receptor using [3H]-ZM-241,385 in CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  191nMAssay Description:Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO cell membrane preincubated for 4 hrs followed by [3H]PSB-603 addition ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  195nMAssay Description:Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO cell membrane and measured after 0.5 hrs by radioligand displacement a...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Mus musculus)
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  591nMAssay Description:Displacement of [3H]DPCPX from recombinant mouse A1 adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Mus musculus)
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  1.94E+3nMAssay Description:Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins by liquid scintillat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Pharmazeutische Chemie

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  2.20E+3nMAssay Description:Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Pharmazeutische Chemie

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  2.20E+3nMAssay Description:Displacement of [3H]CCPA from A1 adenosine receptor in rat cortex membranes measured after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Pharmazeutische Chemie

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  2.20E+3nMAssay 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 A1(Rattus norvegicus (rat))
Pharmazeutische Chemie

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  2.20E+3nMAssay 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 A2b(Rattus norvegicus)
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  3.14E+3nMAssay Description:Displacement of [3H]PSB-603 from recombinant rat A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins by liquid scintillatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  3.79E+3nMAssay Description:Displacement of [3H]MSX-2 from recombinant human A2A adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to rat A3 adenosine receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB-11 from recombinant human A3 adenosine receptor expressed in CHO cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CCPA from recombinant human A1 adenosine receptor expressed in CHO cell membranes measured after 20 hrs by microplate filtration ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Mus musculus)
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]MSX-2 from recombinant mouse A2A adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB11 from human recombinant adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Mus musculus)
Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]NECA from recombinant mouse A3 adenosine receptor expressed in CHO cell membranes measured after 180 mins by liquid scintillation...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Pharmazeutische Chemie

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  2.40E+4nMAssay Description:Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]5'-(N-ethylcarboxamido)-adenosine (NECA) as the ligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  2.40E+4nMAssay 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))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  2.40E+4nMAssay 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(Rattus norvegicus (rat))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  2.40E+4nMAssay Description:Displacement of [3H]NECA from rat A2A adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed