Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50324989'   

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))	BDBM50324989 (CHEMBL1221507 | N-[5-(2-Ethyl-2H-tetrazol-5-yl)-4-...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 Show InChI InChI=1S/C19H16N6OS/c1-2-25-23-17(22-24-25)16-15(13-9-5-3-6-10-13)20-19(27-16)21-18(26)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
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