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 13 hits for monomerid = 21220   

TargetAdenosine receptor A1(Mus musculus)
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 A2a(Homo sapiens (Human))
Medical College Of Wisconsin

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 A1(Homo sapiens (Human))
Medical College Of Wisconsin

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(Homo sapiens (Human))
Medical College Of Wisconsin

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 A2a(Rattus norvegicus (rat))
Medical College Of Wisconsin

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 A3(Mus musculus)
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  14nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from mouse A3A adenosine receptor expressed in CHO cell membranes after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  35nMAssay Description:Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from human A2A adenosine receptor expressed in HEK293 cell m...More data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  35nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from human A3A adenosine receptor expressed in CHO cell membranes after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  63nMAssay Description:Displacement of [3H]N6-R-phenylisopropyladenosine from rat A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation prox...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataKi:  113nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from rat A3A adenosine receptor expressed in CHO cell membranes after 60...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataEC50:  140nMAssay Description:Agonist activity at human A2B adenosine receptor by cell based assayMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataEC50:  0.120nMAssay Description:Agonist activity at human A1A adenosine receptor expressed in HEK cell membranes incubated for 60 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataEC50:  5nMAssay Description:Agonist activity at human A1A adenosine receptor expressed in CHOKI cells assessed as induction of beta-arrestin2 recruitment after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed