Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50361324'   

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))	BDBM50361324 (CHEMBL1935751) Show SMILES Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C18H14N8O2/c1-25-9-12-13(10-25)21-17(23-18(27)20-11-4-6-19-7-5-11)26-16(12)22-15(24-26)14-3-2-8-28-14/h2-10H,1H3,(H2,19,20,21,23,27)	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+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
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