BDBM50119132 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide::CHEMBL317052::REGADENOSON

SMILES CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=LZPZPHGJDAGEJZ-UHFFFAOYSA-N

Data  11 KI  1 EC50

  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 12 hits for monomerid = 50119132   

TargetAdenosine receptor A2b(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataEC50:  1.00E+4nMAssay Description:Agonist activity at human recombinant adenosine receptor A2b by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataKi:  290nMAssay Description:Binding affinity to human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataKi:  290nMAssay Description:Receptor binding affinity for the adenosine A2A receptor was determined using [3H]ZM-241385 as a radioligand in ratMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataKi:  290nMAssay Description:Binding affinity to human adenosine A2A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2016
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataKi:  290nMAssay Description:Binding affinity to A2A adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataKi:  1.12E+3nMAssay Description:Receptor binding affinity for the adenosine A2A receptor were determined using [3H]ZM-241385 as a radioligand in pigMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataKi:  1.27E+3nMAssay Description:Displacement of [3H]ZM241385 from human adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 2 hrs by radioligand competitive bind...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataKi:  3.77E+3nMAssay Description:Binding affinity to human recombinant adenosine A1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataKi:  1.00E+4nMAssay Description:Binding affinity to human recombinant adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataKi: >1.65E+4nMAssay Description:Displacement of [3H]CPX from human adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 2 hrs by radioligand competitive binding an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataKi:  1.27E+6nMAssay Description:Binding affinity for Adenosine A2A receptor in HEK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataKi: >1.65E+7nMAssay Description:Binding affinity for adenosine (ADO) A1 receptor in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed