Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50108648'   

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))	BDBM50108648 (CHEMBL3596511) Show SMILES COc1ccccc1N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r| Show InChI InChI=1S/C23H27N7O2/c1-15-13-29(17-8-4-5-9-18(17)31-2)12-11-28(15)14-20-25-22-16-7-6-10-19(32-3)21(16)26-23(24)30(22)27-20/h4-10,15H,11-14H2,1-3H3,(H2,24,26)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	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 adenosine A2A receptor				Bioorg Med Chem Lett 25: 2958-62 (2015) Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG
					More data for this Ligand-Target Pair