Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50199618'   

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))	BDBM50199618 (CHEMBL3896989) Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(CC(=O)NCCCCCCCN(C)CCO)c1 Show InChI InChI=1S/C36H43Cl2N7O4/c1-3-45-35(48)32(41-36(49)42-34-29(37)23-39-24-30(34)38)22-31(43-45)28-14-10-13-27(21-28)26-12-9-11-25(19-26)20-33(47)40-15-7-5-4-6-8-16-44(2)17-18-46/h9-14,19,21-24,46H,3-8,15-18,20H2,1-2H3,(H,40,47)(H2,39,41,42,49)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2a receptor (unknown origin)				J Med Chem 59: 10479-10497 (2016) Article DOI: 10.1021/acs.jmedchem.6b00829 BindingDB Entry DOI: 10.7270/Q21G0P75
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