BDBM50088422 (2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL66393

SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key InChIKey=TWLWIJNPUVZDOB-LSCFUAHRSA-N

Data  25 KI  4 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 5 hits for monomerid = 50088422   

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataEC50:  85nMAssay Description:Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  3.80nMAssay Description:Binding affinity towards human Adenosine A3 receptor wild typeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  5.80nMAssay Description:Affinity for human Adenosine A3 receptor expressed in CHO cellMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  6nMAssay Description:Binding affinity towards Adenosine A3 receptor (W243 A mutant receptor)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  85nMAssay Description:Binding affinity towards Adenosine A3 receptor (H95A mutant receptor)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed