BDBM50241166 (2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL388757::N6-benzylado

SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12

InChI Key InChIKey=MRPKNNSABYPGBF-LSCFUAHRSA-N

Data  18 KI  5 IC50  2 EC50

PDB links: 1 PDB ID matches 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 25 hits for monomerid = 50241166   

TargetAdenosine receptor A3(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  41.3nMAssay Description:Inhibition of human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  120nMAssay Description:Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  120nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  120nMAssay Description:Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably trans...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  120nMAssay Description:Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  120nMAssay Description:Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  120nMAssay Description:Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  125nMAssay Description:Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEquilibrative nucleoside transporter 1(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  203nMAssay Description:Inhibition of [3H]S-(4-Nitrobenzyl)-6-thioinosine binding to adenosine uptake sites in rat brain membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  280nMAssay Description:Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  280nMAssay Description:Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  285nMAssay Description:Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  285nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  350nMAssay Description:Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a RadioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  550nMAssay Description:Binding affinity athuman Adenosine A3 receptor expressed in HEK 293 cells by [125I]AB-MECA displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  733nMAssay Description:Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membranes More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  4.45E+3nMAssay Description:Displacement of [3H]DPCPX from rat cortical membranes Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataKi:  2.80E+6nMAssay Description:Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoglycerate kinase 1(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataIC50:  1.00E+6nMAssay Description:evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataIC50:  1.07E+4nMAssay Description:Binding affinity to ENT1 transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataIC50:  126nMAssay Description:Evaluated for binding affinity against Adenosine A1 receptorChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataIC50:  4.20E+6nMAssay Description:Inhibitory activity measured for Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in Leishmania. mexicanaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Toxoplasma gondii)TBA
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataIC50:  7.94E+5nMAssay Description:Inhibition of Toxoplasma gondii adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAdenosine receptor A2b(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataEC50:  1.59E+4nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50241166((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Affinity DataEC50:  384nMAssay Description:Effective concentration for stimulation of [35S]GTP-gamma-S, binding to human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed