BindingDB PrimarySearch

BDBM50292322 (2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::CHEMBL399774::N6-(2,2,5,5-tetramethylpyrrolidin-1-yloxyl-3-ylmethyl)adenosine::VCP-28

SMILES: CC1(C)CC(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(C)(C)N1[O]

InChI Key: InChIKey=QFFVFNDFHJHEHU-QIFOKDCASA-N

Data: 8 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50292322
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 receptor A1 (Homo sapiens (Human))	BDBM50292322 ((2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethyl...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor				Bioorg Med Chem Lett 17: 5437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.07.035 BindingDB Entry DOI: 10.7270/Q2VX0G7M
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50292322 ((2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethyl...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human recombinant adenosine A1 receptor by rapid filtration technique				Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50292322 ((2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethyl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to adenosine A3 receptor				Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50292322 ((2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethyl...) Show SMILES Show InChI	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor by rapid filtration technique				Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50292322 ((2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethyl...) Show SMILES Show InChI	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Binding affinity to adenosine A2A receptor				Bioorg Med Chem Lett 17: 5437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.07.035 BindingDB Entry DOI: 10.7270/Q2VX0G7M
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50292322 ((2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethyl...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Binding affinity to adenosine A2B receptor				Bioorg Med Chem Lett 17: 5437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.07.035 BindingDB Entry DOI: 10.7270/Q2VX0G7M
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50292322 ((2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethyl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human recombinant adenosine A3 receptor by rapid filtration technique				Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50292322 ((2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethyl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Binding affinity to adenosine A3 receptor				Bioorg Med Chem Lett 17: 5437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.07.035 BindingDB Entry DOI: 10.7270/Q2VX0G7M
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair