Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50276769'   

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))	BDBM50276769 (CHEMBL514399 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CCC1 Show InChI InChI=1S/C22H20N6O/c29-22(17-12-7-13-17)25-20-18-21(24-19(23-20)16-10-5-2-6-11-16)28(27-26-18)14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,23,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 1817-30 (2009) Article DOI: 10.1016/j.bmc.2009.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WPZ
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