Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 0.209 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Warwick Curated by ChEMBL | Assay Description Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m... | J Med Chem 59: 947-64 (2016) Article DOI: 10.1021/acs.jmedchem.5b01402 BindingDB Entry DOI: 10.7270/Q2FX7CBN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Warwick Curated by ChEMBL | Assay Description Agonist activity at human Adenosine A3 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m... | J Med Chem 59: 947-64 (2016) Article DOI: 10.1021/acs.jmedchem.5b01402 BindingDB Entry DOI: 10.7270/Q2FX7CBN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 0.933 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01123 BindingDB Entry DOI: 10.7270/Q2KP8643 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01123 BindingDB Entry DOI: 10.7270/Q2KP8643 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens Curated by ChEMBL | Assay Description Agonist activity at wild type human A3 receptor stably expressed in Flp-In CHO cells cotransfected with pOG44 assessed as inhibition of forskolin-ind... | J Med Chem 62: 8831-8846 (2019) Article DOI: 10.1021/acs.jmedchem.9b01164 BindingDB Entry DOI: 10.7270/Q21C214P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia School of Medicine Curated by ChEMBL | Assay Description Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding | J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 7.05 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]MSX-2 from rat adenosine A2A receptor | Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Potency against rat brain adenosine A1 receptor | J Med Chem 29: 1683-9 (1986) BindingDB Entry DOI: 10.7270/Q2Z89D0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand. | J Med Chem 33: 2240-54 (1990) BindingDB Entry DOI: 10.7270/Q2PR7WKF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor | J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine... | Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor | J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand. | J Med Chem 33: 2240-54 (1990) BindingDB Entry DOI: 10.7270/Q2PR7WKF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A1 (Chick) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane | J Med Chem 30: 954-6 (1987) BindingDB Entry DOI: 10.7270/Q2PN967D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane | J Med Chem 30: 954-6 (1987) BindingDB Entry DOI: 10.7270/Q2PN967D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]CGS 21680 from human recombinant adenosine receptor A2A expressed in HEK293 cells measured after 120 mins by scintillation counti... | Bioorg Med Chem 25: 471-482 (2017) Article DOI: 10.1016/j.bmc.2016.11.014 BindingDB Entry DOI: 10.7270/Q2CF9S3S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]CGS 21680 from human recombinant adenosine A2a receptor expressed in HEK293 cells | Bioorg Med Chem 24: 1793-810 (2016) Article DOI: 10.1016/j.bmc.2016.03.006 BindingDB Entry DOI: 10.7270/Q2J67JS7 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human adenosine A2A receptor | Bioorg Med Chem 18: 7675-99 (2010) Article DOI: 10.1016/j.bmc.2010.07.034 BindingDB Entry DOI: 10.7270/Q2DF6S69 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A1 receptor | J Med Chem 31: 1179-83 (1988) BindingDB Entry DOI: 10.7270/Q2QC042G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 366 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]MSX-2 from rat adenosine A2A receptor in presence of 100 mM NaCl | Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 2.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia School of Medicine Curated by ChEMBL | Assay Description Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding | J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia School of Medicine Curated by ChEMBL | Assay Description Inhibition of photolabeling of 34 kDa polypeptide in adenosine A1 receptor | J Med Chem 31: 752-6 (1988) BindingDB Entry DOI: 10.7270/Q28916FW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 6.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of forskolin-stimulated cAMP accumulation in chinese hamster ovary cell membranes expressing human adenosine A3 receptor | J Med Chem 47: 2243-55 (2004) Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia School of Medicine Curated by ChEMBL | Assay Description Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptor | J Med Chem 31: 752-6 (1988) BindingDB Entry DOI: 10.7270/Q28916FW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/nucleoside cotransporter 2 (Homo sapiens (Human)) | BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill... | ACS Med Chem Lett 6: 244-8 (2015) Article DOI: 10.1021/ml500343r BindingDB Entry DOI: 10.7270/Q2BK1F27 | |||||||||||
More data for this Ligand-Target Pair |