BDBM50208817 (2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::Adenosine analog, 6::CHEMBL376542

SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12

InChI Key InChIKey=QMUIGEKTFVSTGA-FLNNQWSLSA-N

Data  10 KI  2 EC50

  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 12 hits for monomerid = 50208817   

TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataKi:  5.10nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore 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
LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataKi:  5.10nMAssay 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(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataKi:  7nMAssay 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(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataKi:  7nMAssay 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 A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataKi:  628nMAssay 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 A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataKi:  628nMAssay Description:Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataKi:  773nM ΔG°:  -8.33kcal/molepH: 7.4 T: 2°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 ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataKi:  1.14E+3nM ΔG°:  -8.10kcal/molepH: 7.4 T: 2°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 ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataKi:  4.51E+3nM ΔG°:  -7.29kcal/molepH: 7.4 T: 2°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 ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataKi:  5.68E+3nM ΔG°:  -7.15kcal/molepH: 7.4 T: 2°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 ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataEC50:  54.5nMAssay 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 A2b(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM50208817((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Affinity DataEC50:  54.5nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP productionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed