Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50139816'   

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))	BDBM50139816 (CHEMBL3765062) Show SMILES Nc1nc(C(=O)NCc2cccc3cc[nH]c23)c2cccc(F)c2n1 Show InChI InChI=1S/C18H14FN5O/c19-13-6-2-5-12-15(13)23-18(20)24-16(12)17(25)22-9-11-4-1-3-10-7-8-21-14(10)11/h1-8,21H,9H2,(H,22,25)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human adenosine A2A receptor expressed in HEK cell membranes after 60 mins by microplate scintillation counting an...				Bioorg Med Chem Lett 26: 1348-54 (2016) Article DOI: 10.1016/j.bmcl.2015.11.048 BindingDB Entry DOI: 10.7270/Q2S46TT3
					More data for this Ligand-Target Pair