BDBM50208817 (2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::Adenosine analog, 6::CHEMBL376542
SMILES: [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12
InChI Key: InChIKey=QMUIGEKTFVSTGA-FLNNQWSLSA-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 receptor A3 (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.10 | 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 A3 (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.10 | 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 (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7 | 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 A1 (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7 | 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 A2a (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 628 | 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 A2a (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 628 | 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 receptor A2a (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 773 | -8.33 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health | Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 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 A2a (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.14E+3 | -8.10 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health | Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 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 A2a (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.51E+3 | -7.29 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health | Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 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 A2a (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.68E+3 | -7.15 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health | Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 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 A2b (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 54.5 | 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 A2b (Homo sapiens (Human)) | BDBM50208817 ((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 54.5 | 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 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 |