BDBM50118808 4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL342873

SMILES OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key InChIKey=ISZYFLVJJCPYGN-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50118808   

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

Curated by ChEMBL
LigandPNGBDBM50118808(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Affinity DataKi:  1.30nMAssay Description:Binding affinity towards Adenosine A3 receptor (W243 mutant receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50118808(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Affinity DataKi:  1.30nMAssay Description:Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor expressed on CHO cellMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50118808(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Affinity DataKi:  1.70nMAssay Description:Binding affinity towards human Adenosine A3 receptor wild typeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50118808(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Affinity DataKi:  1.90nMAssay Description:Affinity for human Adenosine A3 receptor expressed in CHO cellMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50118808(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Affinity DataKi:  2.70nMAssay Description:Bnding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-te...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50118808(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Affinity DataKi:  2.90nMAssay Description:Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor of RBL-2H3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50118808(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Affinity DataKi:  4nMAssay Description:Binding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor in the presence of GTPgammaS using [3H]8-ethyl-4-m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50118808(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Affinity DataKi:  460nMAssay Description:Binding affinity towards Adenosine A3 receptor (H95A mutant receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed