BDBM50106542 4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL439976

SMILES CNC(=O)[C@@H]1C[C@H](N)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key InChIKey=BJVZKVDNIYWWSB-NVGCLXPQSA-N

Data  7 KI

  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 = 50106542   

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

Curated by ChEMBL
LigandPNGBDBM50106542(4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9...)
Affinity DataKi:  2.30nMAssay Description:Binding affinity at Mutant (H272E) human adenosine A3 receptor expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106542(4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9...)
Affinity DataKi:  3.40nMAssay Description:Binding affinity at rat adenosine A3 receptor in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106542(4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9...)
Affinity DataKi:  4.60nMAssay Description:Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106542(4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9...)
Affinity DataKi:  6.69nMAssay Description:Binding affinity at rat brain Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106542(4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9...)
Affinity DataKi: >10nMAssay Description:Binding affinity at rat brain Adenosine A2A receptor in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106542(4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9...)
Affinity DataKi:  3.40E+3nMAssay Description:Binding affinity against adenosine A3 receptor from rat brain.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106542(4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9...)
Affinity DataKi:  6.69E+3nMAssay Description:Binding affinity against adenosine A1 receptor from rat brain.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed