BDBM50106537 4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::CHEMBL133387

SMILES CNC(=O)C12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key InChIKey=AGCJNWSEWOWGRS-UHFFFAOYSA-N

Data  6 KI  1 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 7 hits for monomerid = 50106537   

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

Curated by ChEMBL
LigandPNGBDBM50106537(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3...)
Affinity DataEC50:  3.30nMAssay 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
LigandPNGBDBM50106537(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3...)
Affinity DataKi:  1.40nMAssay 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
LigandPNGBDBM50106537(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3...)
Affinity DataKi:  1.60nMAssay Description:Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cellsMore 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
LigandPNGBDBM50106537(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3...)
Affinity DataKi:  2.10nMAssay 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
LigandPNGBDBM50106537(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3...)
Affinity DataKi:  2.10nMAssay 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
LigandPNGBDBM50106537(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3...)
Affinity DataKi:  9.90nMAssay Description:Binding affinity at Mutant (H272E) human adenosine A3 receptor expressed in COS-7 cellsMore 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
LigandPNGBDBM50106537(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3...)
Affinity DataKi:  143nMAssay Description:Binding affinity towards Adenosine A3 receptor (H95A mutant receptor)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed