Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50202995'   

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))	BDBM50202995 (2-furan-2-yl-7-{2-[4-(4-methanesulfinylmethoxy-phe...) Show SMILES CS(=O)COc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C24H27N9O3S/c1-37(34)16-36-18-6-4-17(5-7-18)31-11-8-30(9-12-31)10-13-32-22-19(15-26-32)23-27-21(20-3-2-14-35-20)29-33(23)24(25)28-22/h2-7,14-15H,8-13,16H2,1H3,(H2,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair