BDBM50009525 2-CI Adenosine::2-Chloroadenosine::2-Chloroado::2-[6-Amino-2-(2-cyclopentyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL285819

SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=BIXYYZIIJIXVFW-UUOKFMHZSA-N

Data  42 KI  3 IC50  2 Kd  4 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 51 hits for monomerid = 50009525   

TargetAdenosine receptor A1/A2a/A2b/A3(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  1.30nMAssay Description:Antagonist binding of 2-chloro-[3H]-adenosine in rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  1.40nMAssay Description:Binding affinity to human recombinant adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  2.80nMAssay Description:Displacement of [3H]N6-phenylisopropyladenosine from recombinant human A1AR expressed in CHO cell membranes after 60 mins by liquid scintillation cou...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  6.70nMAssay Description:Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(GUINEA PIG)
TBA

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  8nMAssay Description:Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  8.70nMAssay Description:Displacement of [3H]CHA from adenosine A1 receptor of rat whole brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1/A2a/A2b/A3(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  9nMAssay Description:Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fatMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  9.30nMAssay Description:Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  9.30nMAssay Description:Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  9.30nMAssay 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 A1(Rattus norvegicus (rat))
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  9.30nMAssay Description:Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  9.30nMAssay Description:Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  9.30nMAssay Description:Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  9.33nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1/A2a/A2b/A3(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  10nMAssay Description:Antagonist binding of 2-chloro-[3H]-adenosine to rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  19nMAssay Description:Binding affinity to human recombinant adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(BOVINE)
Universit£

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  20nMAssay 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 DepthDetails ArticlePubMed
TargetAdenosine receptor A1(BOVINE)
Universit£

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  25nMAssay Description:Antagonist binding of N6-cyclohexyl-[3H]-adenosine to bovine brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  63nMAssay Description:Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  63nMAssay 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 A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  63nMAssay Description:Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  63nMAssay Description:Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  63.2nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  76nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  76nMAssay Description:Inhibition of [3H]- NECA binding to adenosine receptor A2AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  87nMAssay Description:Affinity for human Adenosine A3 receptor expressed in CHO cellMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  120nMAssay 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 DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  180nMAssay Description:Binding affinity to human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  650nMAssay 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/A2a/A2b/A3(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  920nMAssay Description:Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmin(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  1.80E+3nMAssay Description:Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  1.89E+3nMAssay 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
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  1.89E+3nMAssay Description:Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably trans...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  2.20E+3nMAssay Description:Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  3.20E+3nMAssay 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 DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(BOVINE)
Whitby Research

Curated by PDSP Ki Database
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  6.92E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a(GUINEA PIG)
TBA

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  1.16E+4nMAssay 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 A2b(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  2.14E+4nMAssay Description:Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  2.55E+4nMAssay Description:Displacement of [125I]I-ABOPX from human recombinant adenosine A2B receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine deaminase(Bos taurus (bovine))
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKi:  5.45E+4nMAssay Description:Inhibition of calf placental adenosine deaminase by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKd:  3.80E+4nMAssay Description:Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmin(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataKd:  8.60E+3nMAssay Description:Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human PDE2A catalytic domain (580 to 919 residues) expressed in Escherichia coli BL21 (Codonplus) using [3H]cGMP as substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataEC50:  1.89E+5nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(GUINEA PIG)
TBA

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataEC50:  8.00E+3nMAssay Description:Antagonism of cyclic [3H]AMP accumulation elicited by 15 uM 2-chloroadenosine in [3H]adenine-labeled guinea pig cerebral cortical slices at A2 recept...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(GUINEA PIG)
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataEC50:  191nMAssay Description:Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparationChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataIC50:  37nMAssay Description:Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Affinity DataEC50:  1.63E+3nMAssay 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 ArticlePubMed
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