BDBM50084860 3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl]-7-methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione(MSX-2)::CHEMBL413079

SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1

InChI Key InChIKey=FWLDDFYHEQMIGG-MDZDMXLPSA-N

Data  25 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 25 hits for monomerid = 50084860   

TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of WüRzburg

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  5nMAssay Description:Binding affinity against human adenosine A2A receptor using [3H]-CGS-21,680 (95% confidence)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  5nMAssay Description:Inhibition of rat recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of WüRzburg

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  5.40nMAssay Description:Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of WüRzburg

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  5.40nMAssay Description:Binding affinity to human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  8nMAssay Description:Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  8nMAssay Description:Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  8nMAssay Description:Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  8nMAssay Description:Binding affinity to rat adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of WüRzburg

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  15nMAssay Description:Binding affinity against human post-mortem brain adenosine A2A receptor using nuclei caudati and [3H]-CGS-21,680More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  900nMAssay Description:Binding affinity to rat adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  900nMAssay Description:Binding affinity against adenosine A1 receptor of rat brain cortical membranes using [3H]-CHAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  900nMAssay Description:Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  900nMAssay Description:Inhibition of rat recombinant adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  900nMAssay Description:Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  2.50E+3nMAssay Description:Binding affinity to human adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  2.50E+3nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  2.50E+3nMAssay Description:Binding affinity against human adenosine A1 receptor using [3H]-CCPA (95% confidence)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi:  2.90E+3nMAssay Description:Inhibition of human recombinant adenosine receptor A2bMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
University Of WüRzburg

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity against human adenosine A3 receptor in CHO cell membranes using [3H]-NECAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of NECA-induced stimulation of adenylate cyclase at human adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
University Of WüRzburg

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of rat recombinant adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
University Of WüRzburg

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to human adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50084860(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB-603 from human adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed