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-UHFFFAOYSA-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50088422   

TargetAdenosine receptor A1(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataEC50:  43nMAssay Description:Stimulation of [35S]GTP-gamma-S, binding to human adenosine A1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataEC50:  340nMAssay Description:Stimulation of [35S]GTP-gamma-S, binding to adenosine A1 receptor of rat cerebral cortical membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataEC50:  5.20nMAssay Description:Stimulation of [35S]GTP-gamma-S, against human adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

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 Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

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 Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

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 Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  5.80nMAssay Description:Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  5.80nMAssay Description:Binding affinity to Adenosine receptor A3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2017
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

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 Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  7.40nMAssay Description:Inhibition of [3H]R-PIA binding to human Adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  9.5nMAssay Description:Displacement of [125I]- AB-MECA from rat adenosine rA3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  9.5nMAssay Description:Inhibition of [125I]AB-MECA binding to rat Adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  9.5nMAssay 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 c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  10nMAssay Description:Inhibitory activity against Adenosine A3 receptor by inhibiting specific [3H](R)-PIA binding to rat testis membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  15.2nMAssay Description:Displacement of [125I]AB-MECA from adenosine A3 receptors in bovine cortical membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  18nMAssay Description:Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  18nMAssay 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 Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Bovine)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  19nMAssay Description:Inhibitory activity at Adenosine A1 receptor by inhibition of [3H]CHA binding to bovine brain cortical membranes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  20nMAssay Description:Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  20nMAssay Description:Inhibitory activity at Adenosine A2A receptor by inhibition of [3H]-CGS- 21680 binding to bovine striatal membranes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  20nMAssay 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 Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Bovine)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  23nMAssay Description:Displacement of [3H]DPCPX binding to adenosine A1 receptors of bovine cortical membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  28nMAssay Description:Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  79nMAssay Description:Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

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 Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  121nMAssay Description:Displacement of [3H]CGS-21680 binding to adenosine A2A receptors of bovine striatal membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  140nMAssay Description:Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  340nMAssay Description:Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088422((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  3.57E+3nMAssay Description:Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed