Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50064637'   

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))	BDBM50064637 (CHEMBL3403727) Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12 Show InChI InChI=1S/C29H29N3O4S2/c1-4-36-28(34)23-21-7-5-6-8-22(21)37-27(23)32-26(33)25-24(18-11-9-17(2)10-12-18)31-29(38-25)30-19-13-15-20(35-3)16-14-19/h9-16H,4-8H2,1-3H3,(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem Lett 25: 1306-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.040 BindingDB Entry DOI: 10.7270/Q2QN68GJ
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