BDBM35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680

SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12

InChI Key InChIKey=PAOANWZGLPPROA-RQXXJAGISA-N

Data  77 KI  1 IC50  12 Kd  19 EC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 35804   

TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Leiden University

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataKi:  15nMAssay 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(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataKi:  27nMAssay Description:Binding affinity for human adenosine A2A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataKi:  67nMAssay Description:Displacement of [125I]AB-MECA from membranes of HEK 293 cells expressing human Adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataKi:  289nMAssay Description:Binding affinity for human adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
Leiden University

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataKi:  584nMAssay Description:Binding affinity for rat adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Leiden University

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataKi:  2.60E+3nMAssay Description:Displacement of [3H]- DPCPX from adenosine A1 receptor on rat cortical membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  1.40nMAssay Description:Partial agonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as intrinsic activity by measuring cell index change withi...More data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  2.13E+5nMAssay Description:Effective concentration for cAMP production in CHO-KI cells stably transfected with human adenosine A2B receptor cDNAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed