Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM551662'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551662 ((2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino...) Show SMILES COc1cc2nc(N)n3nc(nc3c2cc1F)C1CC(C)CN(C1)c1cnn(c1)C(C)C(C)O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551662 ((2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino...) Show SMILES COc1cc2nc(N)n3nc(nc3c2cc1F)C1CC(C)CN(C1)c1cnn(c1)C(C)C(C)O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551662 ((2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino...) Show SMILES COc1cc2nc(N)n3nc(nc3c2cc1F)C1CC(C)CN(C1)c1cnn(c1)C(C)C(C)O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551662 ((2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino...) Show SMILES COc1cc2nc(N)n3nc(nc3c2cc1F)C1CC(C)CN(C1)c1cnn(c1)C(C)C(C)O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	89.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair