Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50336719'   

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))	BDBM50336719 (4-(3,3-Dimethyl-butyrylamino)-5-fluoro-2-methoxy-N...) Show SMILES COc1c(F)c(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1 Show InChI InChI=1S/C17H20FN3O3S/c1-17(2,3)9-12(22)20-11-6-5-10(14(24-4)13(11)18)15(23)21-16-19-7-8-25-16/h5-8H,9H2,1-4H3,(H,20,22)(H,19,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
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