Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM110161'   

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 (Rattus norvegicus (rat))	BDBM110161 (8-(3-Phenylpropyl)-1,3-dimethyl-7-ethylxanthine (9...) Show SMILES CCn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H22N4O2/c1-4-22-14(12-8-11-13-9-6-5-7-10-13)19-16-15(22)17(23)21(3)18(24)20(16)2/h5-7,9-10H,4,8,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110161 (8-(3-Phenylpropyl)-1,3-dimethyl-7-ethylxanthine (9...) Show SMILES CCn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H22N4O2/c1-4-22-14(12-8-11-13-9-6-5-7-10-13)19-16-15(22)17(23)21(3)18(24)20(16)2/h5-7,9-10H,4,8,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes				Bioorg Med Chem 23: 6641-9 (2015) Article DOI: 10.1016/j.bmc.2015.09.012 BindingDB Entry DOI: 10.7270/Q2571DTP
					More data for this Ligand-Target Pair