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 25 hits for monomerid = 21220   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  9.00E+4nMAssay Description:Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  67nMAssay Description:Inhibition of human adenosine A2A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  15nMAssay Description:Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  25nMAssay Description:Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  37nMAssay Description:Displacement of [3H]CGS 21680 from human recombinant adenosine receptor A2A expressed in HEK293 cells measured after 120 mins by scintillation counti...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  17nMAssay Description:Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.More data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (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 DataIC50:  1.10nMAssay Description:Agonist activity at wild type human A3 receptor stably expressed in Flp-In CHO cells cotransfected with pOG44 assessed as inhibition of forskolin-ind...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (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 DataIC50:  0.933nMAssay Description:Antagonist activity at wild type A3R (unknown origin) expressed in Flp-In-CHO cells assessed as inhibition of NECA reduced forskolin stimulated cAMP ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
University Of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  1.10nMAssay Description:Antagonist activity at wild type A1R (unknown origin) expressed in CHO-K1 cells assessed as inhibition of NECA reduced forskolin stimulated cAMP accu...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  7.05nMAssay Description:Displacement of [3H]MSX-2 from rat adenosine A2A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  366nMAssay Description:Displacement of [3H]MSX-2 from rat adenosine A2A receptor in presence of 100 mM NaClMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  2.46E+3nMAssay Description:Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  5.20E+4nMAssay Description:Inhibition of photolabeling of 34 kDa polypeptide in adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  200nMAssay Description:Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Kissei Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
University Of Virginia

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  0.209nMAssay Description:Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (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 DataIC50:  0.490nMAssay Description:Agonist activity at human Adenosine A3 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  37nMAssay Description:Displacement of [3H]CGS 21680 from human recombinant adenosine A2a receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Glaxowellcome Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  16nMAssay Description:Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine...More data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  10nMAssay Description:Potency against rat brain adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Chick)
University of Illinois At Chicago

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  17nMAssay Description:Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  16nMAssay Description:Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  10nMAssay Description:Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (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 DataIC50:  6.56E+4nMAssay Description:Inhibition of forskolin-stimulated cAMP accumulation in chinese hamster ovary cell membranes expressing human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Affinity DataIC50:  2.40nMAssay Description:Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed