BDBM50208788 (2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL374685
SMILES: Nc1nc(OCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Key: InChIKey=LNJMSJMYTVMMGS-LSCFUAHRSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50208788 ((2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells | J Med Chem 50: 1810-27 (2007) Article DOI: 10.1021/jm061278q BindingDB Entry DOI: 10.7270/Q28916P1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50208788 ((2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia Curated by ChEMBL | Assay Description Binding affinity towards adenosine A2A receptor in rat brain striatum | J Med Chem 44: 531-9 (2001) BindingDB Entry DOI: 10.7270/Q20Z740K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50208788 ((2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 54.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells | J Med Chem 50: 1810-27 (2007) Article DOI: 10.1021/jm061278q BindingDB Entry DOI: 10.7270/Q28916P1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50208788 ((2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia Curated by ChEMBL | Assay Description Binding affinity towards adenosine A1 receptor in rat brain cortex | J Med Chem 44: 531-9 (2001) BindingDB Entry DOI: 10.7270/Q20Z740K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50208788 ((2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 221 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Displacement of [3H]CPPA from human adenosine A1 receptor expressed in CHO cells | J Med Chem 50: 1810-27 (2007) Article DOI: 10.1021/jm061278q BindingDB Entry DOI: 10.7270/Q28916P1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50208788 ((2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-y...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.49E+3 | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production | J Med Chem 50: 1810-27 (2007) Article DOI: 10.1021/jm061278q BindingDB Entry DOI: 10.7270/Q28916P1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50208788 ((2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-y...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.86E+5 | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase | J Med Chem 51: 2088-99 (2008) Article DOI: 10.1021/jm701442d BindingDB Entry DOI: 10.7270/Q2R49RNV | |||||||||||
More data for this Ligand-Target Pair |