Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50252060'   

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))	BDBM50252060 (2-Furan-2-yl-7-[2-(4'-trifluoromethoxy-biphenyl-4-...) Show SMILES Nc1nc2n(CCc3ccc(cc3)-c3ccc(OC(F)(F)F)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C25H18F3N7O2/c26-25(27,28)37-18-9-7-17(8-10-18)16-5-3-15(4-6-16)11-12-34-22-19(14-30-34)23-31-21(20-2-1-13-36-20)33-35(23)24(29)32-22/h1-10,13-14H,11-12H2,(H2,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	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 Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 4199-203 (2008) Article DOI: 10.1016/j.bmcl.2008.05.074 BindingDB Entry DOI: 10.7270/Q2X34X89
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