BDBM14487 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol::Adenine-beta-D-arabinofuranoside::Adenosine::CHEMBL477::N6-Methylado::[U-14C]adenosine::cid_191::cid_60961

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=OIRDTQYFTABQOQ-KQYNXXCUSA-N

Data  40 KI  24 IC50  12 Kd  33 EC50

PDB links: 207 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 14487   

TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  20nMAssay Description:Binding affinity to A2A adenosine receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  30nMAssay Description:Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  150nMAssay Description:Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cells assessed as inhibition constant by surface plasmon resonance a...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  700nMAssay Description:Binding affinity to human recombinant adenosine receptor A2A expressed in CHO cells assessed as inhibitory constant by radioligand competition assayMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  4.55E+3nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  700nMAssay Description:Agonist activity at human recombinant adenosine receptor A2a by cAMP assayMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  730nMAssay Description:Agonist activity at human adenosine A2A receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioino...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  5.75E+3nMAssay Description:Agonist activity at human Adenosine A2A receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase r...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  700nMAssay Description:Agonist activity at human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  4.00E+4nMAssay Description:Effective concentration required for cyclic AMP dependent inhibition of blood platelet aggregation for A2 receptor stimulationMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  700nMAssay Description:Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as increase of intracellular calcium levelMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKd:  17nMAssay Description:Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cells assessed as dissociation constant by surface plasmon resonance...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  25nMAssay Description:Agonist activity at human adenosine A2A receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated fo...More data for this Ligand-Target Pair