BDBM50080390 (2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(2-methyl-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::Adenosine analog, 16::CHEMBL331382::Metrifudil
SMILES: Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Key: InChIKey=OOEMZCZWZXHBKW-SCFUHWHPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S Curated by ChEMBL | Assay Description Displacement of [3H]-CGS- 21680 from adenosine A2A receptor of rat striatal tissue | J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 38 | 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 Inhibition of [125I]-AB-MECA binding to rat Adenosine A3 receptor expressed in CHO cells | J Med Chem 48: 1745-58 (2005) Article DOI: 10.1021/jm049580r BindingDB Entry DOI: 10.7270/Q23F4P52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 39 | 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 Inhibition of [3H]-R-PIA binding to human Adenosine A1 receptor expressed in CHO cells | J Med Chem 48: 1745-58 (2005) Article DOI: 10.1021/jm049580r BindingDB Entry DOI: 10.7270/Q23F4P52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 39.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health | Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. | Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 47 | 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 Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cells | J Med Chem 48: 1745-58 (2005) Article DOI: 10.1021/jm049580r BindingDB Entry DOI: 10.7270/Q23F4P52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 47.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health | Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. | Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand. | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S Curated by ChEMBL | Assay Description Displacement of [3H]-R-PIA from adenosine A1 receptor of Wistar rat forebrain | J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably trans... | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 760 | 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 Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cells | J Med Chem 48: 1745-58 (2005) Article DOI: 10.1021/jm049580r BindingDB Entry DOI: 10.7270/Q23F4P52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 764 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health | Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. | Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human)) | BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibitory activity measured for Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in Leishmania. mexicana | J Med Chem 41: 4790-9 (1998) Article DOI: 10.1021/jm9802620 BindingDB Entry DOI: 10.7270/Q2Q240ZW | |||||||||||
More data for this Ligand-Target Pair |