BDBM50088421 (2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL307199

SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key InChIKey=MIBNONCHNQYLDV-XNIJJKJLSA-N

Data  21 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 21 hits for monomerid = 50088421   

TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  1.40nMAssay Description:Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  1.40nMAssay Description:Displacement of [125I]- AB-MECA from rat adenosine rA3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  1.60nMAssay Description:Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor expressed on CHO cellMore 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
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  1.80nMAssay Description:Affinity for human Adenosine A3 receptor expressed in CHO cellMore 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
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  1.80nMAssay 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
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  1.80nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...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
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  1.90nMAssay Description:Binding affinity towards human Adenosine A3 receptor wild typeMore 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
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  2.40nMAssay Description:Binding affinity towards Adenosine A3 receptor (W243 mutant receptor)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  2.70nMAssay Description:Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor of RBL-2H3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  2.70nMAssay 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 A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  3.20nMAssay 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 DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  3.90nMAssay 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 DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  17nMAssay 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(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  19nMAssay Description:Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  39nMAssay Description:Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  39nMAssay Description:Tested for the binding affinity of A2a receptor by displacing the [3H]-CGS- 21680 in rat striatal membranesMore 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
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  132nMAssay Description:Binding affinity towards Adenosine A3 receptor (H95A mutant receptor)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
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  200nMAssay 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 A1(BOVINE)
Universit£

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  890nMAssay Description:Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088421((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Affinity DataKi:  5.01E+3nMAssay Description:Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed