BDBM50080390 (2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(2-methyl-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::Adenosine analog, 16::CHEMBL331382::Metrifudil

SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=OOEMZCZWZXHBKW-SCFUHWHPSA-N

Data  12 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50080390   

TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  24nMAssay 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
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  25nMAssay Description:Displacement of [3H]-CGS- 21680 from adenosine A2A receptor of rat striatal tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  38nMAssay Description:Inhibition of [125I]-AB-MECA binding to rat Adenosine A3 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
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  39nMAssay Description:Inhibition of [3H]-R-PIA binding to 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
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  39.3nMAssay 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 A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  47nMAssay Description:Inhibition of [125I]-AB-MECA binding to 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
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  47.2nMAssay 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(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  60nMAssay 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))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  98nMAssay Description:Displacement of [3H]-R-PIA from adenosine A1 receptor of Wistar rat forebrainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  360nMAssay 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 A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  760nMAssay Description:Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataKi:  764nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50080390((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Affinity DataIC50:  7.00E+5nMAssay Description:Inhibitory activity measured for Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in Leishmania. mexicanaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed