BDBM21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA

SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key InChIKey=JADDQZYHOWSFJD-FLNNQWSLSA-N

Data  249 KI  25 IC50  14 Kd  83 EC50

PDB links: 8 PDB IDs match this monomer.

  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 92 hits for monomerid = 21220   

TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  1nMAssay Description:In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  1.5nMAssay Description:Binding affinity against Q89D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385 More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  1.5nM ΔG°:  -12.0kcal/molepH: 7.4 T: 25°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  2.20nMAssay Description:Binding affinity to A2A adenosine receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  2.20nMAssay Description:Binding affinity to human A2A adenosine receptor expressed in HEK293 cell membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  2.20nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  4.13nMAssay Description:Binding affinity for Adenosine A2A receptor in rat brain membranes using [3H]CGS-21680 More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  5.20nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  7.80nMAssay Description:Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  7.80nMAssay Description:Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatumMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  7.80nMAssay Description:Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  8.40nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cell membranes incubated for 120 mins by scintillation counting metho...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  9.30nM ΔG°:  -10.9kcal/molepH: 7.4 T: 25°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  9.70nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  10nMAssay Description:Displacement of [3 H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from rat adenosine receptor A2A after 60 mins by liquid s...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  10nMAssay Description:Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligandMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  10nMAssay Description:Inhibition of [3H]- CGS 21680 binding to Adenosine A2A receptor of rat brain membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  10nMAssay Description:Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  10nMAssay Description:Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  10.3nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  12nMAssay Description:Displacement of 3[H]CGS21680 from rat A2A adenosine receptor expressed in HEK293 cells after 60 min by Liquid scintillation analysisMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  12nMAssay Description:Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from rat A2A adenosine receptor expressed in HEK293 cell mem...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  12nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  12.2nMAssay Description:Displacement of [3H]CGS-21680 binding to Adenosine A2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  12.4nMAssay Description:Binding affinity towards adenosine A2A receptor in rat brain striatumMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  12.4nMAssay Description:Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  12.5nMAssay Description:Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  15nMAssay Description:Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  15nMAssay Description:Affinity for A2a receptor by displacement of [3H]-CGS- 21680 from human striatumMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  15nMAssay Description:Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatumMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane after 90 minsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]-NECA from human A2A receptor stably expressed in CHO cell membranes by radioligand competitive binding assayMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Inhibitory activity at Adenosine A2A receptor by inhibition of [3H]-CGS- 21680 binding to bovine striatal membranes.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Ability to displace the specific binding of [3H]-CGS- to adenosine A2A receptor form bovine brain striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Ability to displace radioligand [3H]- CGS 21680 from adenosine A2A receptor on rat striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rat)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]CGS-21680 binding to adenosine A2A receptors of bovine striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  16nMAssay Description:The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  19.1nMAssay Description:Binding affinity against H278D human adenosine A2A receptor stably transfected in CHO cells using [3H]- ZM-241385 as radioligand.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  20nMAssay Description:Agonist activity at human adenosine receptor A2AMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  20nMAssay Description:Binding affinity to human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  20nMAssay Description:[3H]NECA saturation binding in CHO cells expressing human recombinant A2A adenosine receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  20nMAssay Description:Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  20nMAssay Description:Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK cellsMore data for this Ligand-Target Pair