Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50415191'   

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))	BDBM50415191 (CHEMBL603209) Show SMILES Cn1c(Cc2c(F)cccc2F)nc2n(Cc3ccco3)c(=O)n(CC=C)c(=O)c12 Show InChI InChI=1S/C21H18F2N4O3/c1-3-9-26-20(28)18-19(27(21(26)29)12-13-6-5-10-30-13)24-17(25(18)2)11-14-15(22)7-4-8-16(14)23/h3-8,10H,1,9,11-12H2,2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells by microplate beta scintillation counting				Bioorg Med Chem 17: 6755-60 (2009) Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH
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