BindingDB PrimarySearch

BDBM50144945 (2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-3-ol::(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol::2'-O-Methyladenosine::CHEMBL73237

SMILES: CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12

InChI Key: InChIKey=FPUGCISOLXNPPC-IOSLPCCCSA-N

Data: 3 KI 3 IC50 3 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50144945
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP K_i Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP K_i Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
ADORA3 (RAT)	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP K_i Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
Santaris Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES Show InChI	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Isis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition HCV NS5B-mediated RNA synthesis				J Med Chem 47: 2283-95 (2004) Article DOI: 10.1021/jm030424e BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
Isis Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
Santaris Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES Show InChI	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Isis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition HCV RNA replication				J Med Chem 47: 2283-95 (2004) Article DOI: 10.1021/jm030424e BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
Isis Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
Santaris Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
Santaris Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair