Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50199620'   

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))	BDBM50199620 (CHEMBL3916846) Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN1CCNCC1 Show InChI InChI=1S/C31H32Cl2N8O3/c1-2-41-30(43)27(37-31(44)38-28-24(32)18-35-19-25(28)33)17-26(39-41)22-7-3-5-20(15-22)21-6-4-8-23(16-21)29(42)36-11-14-40-12-9-34-10-13-40/h3-8,15-19,34H,2,9-14H2,1H3,(H,36,42)(H2,35,37,38,44)	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	n/a	n/a	9	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
					More data for this Ligand-Target Pair