Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50189809'   

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))	BDBM50189809 (CHEMBL378514 | N-(6-amino-1-oxo-2-phenyl-1,2-dihyd...) Show SMILES CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C17H14N6O2/c1-10(24)19-15-16-21-23(11-6-3-2-4-7-11)17(25)22(16)13-9-5-8-12(18)14(13)20-15/h2-9H,18H2,1H3,(H,19,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	367	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 49: 3916-25 (2006) Article DOI: 10.1021/jm060373w BindingDB Entry DOI: 10.7270/Q25H7FW1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50189809 (CHEMBL378514 | N-(6-amino-1-oxo-2-phenyl-1,2-dihyd...) Show SMILES CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C17H14N6O2/c1-10(24)19-15-16-21-23(11-6-3-2-4-7-11)17(25)22(16)13-9-5-8-12(18)14(13)20-15/h2-9H,18H2,1H3,(H,19,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranes				J Med Chem 49: 3916-25 (2006) Article DOI: 10.1021/jm060373w BindingDB Entry DOI: 10.7270/Q25H7FW1
					More data for this Ligand-Target Pair