BDBM59206 Adenosine analog, 11

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO

InChI Key InChIKey=YLPQAZPIFSHMAY-FLNNQWSLSA-N

Data  13 KI  2 EC50

PDB links: 3 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 59206   

TargetAdenosine receptor A1(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  12.8nMAssay 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 Institutes Of Health

LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  12.8nMAssay Description:Displacement of 3[H]R-PIA from human A1 adenosine receptor expressed in CHO cells after 60 mins by Liquid scintillation analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  13nMAssay 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 A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  41.7nM ΔG°:  -10.1kcal/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

LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  505nMAssay 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
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  505nMAssay 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

LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  505nMAssay Description:Displacement of 3[H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cells after 60 mins by Liquid scintillation analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  2.11E+3nM ΔG°:  -7.74kcal/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

LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  3.87E+3nM ΔG°:  -7.38kcal/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 A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  9.45E+3nMAssay Description:Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cells after 60 mins gamma counterMore 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
LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  9.45E+3nMAssay 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 A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  9.45E+3nMAssay 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

LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataKi:  1.33E+4nM ΔG°:  -6.65kcal/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))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataEC50:  948nMAssay Description:Agonist activity at human A2B adenosine receptor by cell based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM59206(Adenosine analog, 11)
Affinity DataEC50:  942nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed