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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 35804   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
Zeneca Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50: >1.00E+4nMAssay Description:Functional activity against adenosine A1 receptor from rat atria.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£

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 A1(Rattus norvegicus (rat))
Zeneca Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50: >1.00E+4nMAssay Description:Activitty at Adenosine A1 receptor of rat atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
University of Virginia

Curated by PDSP Ki Database
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  3.61E+5nMAssay Description:Agonist activity at human recombinant adenosine receptor A2b by cAMP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  2.10nMAssay Description:Agonist activity at human adenosine A2a receptor expressed in CHO cells assessed as stimulation of cAMP formation after 24 hrsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  18nMAssay Description:Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as stimulation of [3H]cAMP levels by scintillation counting methodMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
University of Virginia

Curated by PDSP Ki Database
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of [3H]cAMP levels by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  6.31E+5nMAssay Description:Agonist activity at human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 after 16 hrs by beta galactosidase r...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  2.00E+4nMAssay Description:Agonist activity at human Adenosine A2A receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase r...More data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
University of Virginia

Curated by PDSP Ki Database
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  6.31E+6nMAssay Description:Agonist activity at human Adenosine A2B receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase r...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human adenosine A1 receptor expressed in CHO cells by GTPPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  613nMAssay Description:Agonist activity at human adenosine A3 receptor expressed in CHO cells by GTPPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
University of Virginia

Curated by PDSP Ki Database
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as effect on cAMP production by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  6.44E+3nMAssay Description:Binding against human adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Zeneca Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50: >100nMAssay Description:[S]GTP gamma-S binding against adenosine A1 receptor in rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(GUINEA PIG)
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  2.46E+4nMAssay Description:Prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langendorff guinea pig heart preparationChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  115nMAssay Description:Functional activity against adenosine A2a receptor from rat aorta.More data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
University of Virginia

Curated by PDSP Ki Database
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
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataEC50:  115nMAssay Description:Functional activity at Adenosine A2A receptor as vasorelaation of rat aortaMore data for this Ligand-Target Pair