Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50090699'   

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))	BDBM50090699 (5-Hydroxy-1-methyl-7-phenyl-1H-[1,8]naphthyridin-2...) Show SMILES Cn1c2nc(cc(O)c2ccc1=O)-c1ccccc1 Show InChI InChI=1S/C15H12N2O2/c1-17-14(19)8-7-11-13(18)9-12(16-15(11)17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor in human striatal membranes using [3H]-CGS-21,680 as radioligand				J Med Chem 47: 3019-31 (2004) Article DOI: 10.1021/jm030977p BindingDB Entry DOI: 10.7270/Q2BC3Z07
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50090699 (5-Hydroxy-1-methyl-7-phenyl-1H-[1,8]naphthyridin-2...) Show SMILES Cn1c2nc(cc(O)c2ccc1=O)-c1ccccc1 Show InChI InChI=1S/C15H12N2O2/c1-17-14(19)8-7-11-13(18)9-12(16-15(11)17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Ability to displace the specific binding of [3H]-CGS- to adenosine A2A receptor form bovine brain striatal membranes				J Med Chem 43: 2814-23 (2000) BindingDB Entry DOI: 10.7270/Q21R6R6K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50090699 (5-Hydroxy-1-methyl-7-phenyl-1H-[1,8]naphthyridin-2...) Show SMILES Cn1c2nc(cc(O)c2ccc1=O)-c1ccccc1 Show InChI InChI=1S/C15H12N2O2/c1-17-14(19)8-7-11-13(18)9-12(16-15(11)17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Università di Pisa Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor in bovine striatal membranes using [3H]-CGS-21,680 as radioligand				J Med Chem 47: 3019-31 (2004) Article DOI: 10.1021/jm030977p BindingDB Entry DOI: 10.7270/Q2BC3Z07
					More data for this Ligand-Target Pair