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 371 hits for monomerid = 21220   

TargetAdenosine receptor A1(Mouse)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  0.450nMAssay Description:Displacement of [3H]N6-R-phenylisopropyladenosine from mouse A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity towards human Adenosine A3 receptor wild typeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  0.900nMAssay Description:Binding affinity towards Adenosine A3 receptor (W243 A mutant receptor)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Guinea pig)
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:Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  1.04nMAssay Description:Displacement of [125I]ABA from human adenosine A1 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A1(Guinea pig)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rabbit)
Pfizer

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
In DepthDetails PubMed

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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  3nMAssay Description:Displacement of 3[H]R-PIA from human A1 adenosine receptor expressed in CHO cells after 60 mins by Liquid scintillation analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  3nMAssay Description:Displacement of [3H]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  3.70nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  4nMAssay Description:Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetP2Y purinoceptor 2(Chinese hamster)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  4.20nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  4.60nMAssay Description:Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  4.60nMAssay Description:Displacement of [3H]-CCPA from human A1 receptor stably expressed in CHO cell membranes by radioligand competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  5nMAssay Description:Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  5.10nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  5.10nMAssay 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(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  5.10nMAssay Description:Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A1(Rabbit)
Pfizer

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  5.30nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Guinea pig)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  5.30nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6nMAssay Description:[3H]NECA saturation binding in CHO cells expressing human Adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.20nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.20nMAssay Description:Binding affinity to human recombinant adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.20nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.20nMAssay Description:Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.20nMAssay Description:Displacement of [3H]CHA from adenosine A1 receptor of rat whole brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.26nMMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.30nMAssay Description:Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.30nMAssay Description:Inhibition of [3H]- DPCPX binding to Adenosine A1 receptor ofrat brain membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.30nMAssay Description:Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.30nMAssay Description:Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.30nMAssay Description:Binding affinity at adenosine A1 receptor from rat brain membranes by [3H]N6-cyclohexyladenosine displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.30nMAssay Description:Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.80nMAssay Description:Binding affinity to human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.80nMAssay Description:Displacement of [3H]N6-phenylisopropyladenosine from recombinant human A1AR expressed in CHO cell membranes after 60 mins by liquid scintillation cou...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.80nMAssay Description:Displacement of [3H]R-PIA from human A1 adenosine receptor expressed in CHO cells after 60 min by Perkin Elmer Liquid Scintillation AnalyzerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.80nMAssay Description:Displacement of [3H]CPPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  6.80nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  7.70nMAssay Description:Binding activity against Adenosine A1 receptor from rat brain membranes using [3H]8-cyclopentyl-1,3-dipropylxanthine (DPCPX) More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

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