BindingDB PrimarySearch

Found 6 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50176058'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176058 (2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...) Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant adenosine receptor A2a				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176058 (2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...) Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680				J Med Chem 48: 6887-96 (2005) Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176058 (2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...) Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.60	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 Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176058 (2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...) Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176058 (2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...) Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 1 hr by competitive binding assay				J Med Chem 56: 5456-63 (2013) Article DOI: 10.1021/jm400491x BindingDB Entry DOI: 10.7270/Q2R49TQK
Universit£ degli Studi di Urbino Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176058 (2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...) Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP accumulation incubated for ...				J Med Chem 56: 5456-63 (2013) Article DOI: 10.1021/jm400491x BindingDB Entry DOI: 10.7270/Q2R49TQK
Universit£ degli Studi di Urbino Curated by ChEMBL					More data for this Ligand-Target Pair