Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50252166'   

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))	BDBM50252166 (2-Furan-2-yl-7-[2-(2-morpholin-4-ylmethyl-quinolin...) Show SMILES Nc1nc2n(CCc3ccc4nc(CN5CCOCC5)ccc4c3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C26H25N9O2/c27-26-31-24-20(25-30-23(32-35(25)26)22-2-1-11-37-22)15-28-34(24)8-7-17-3-6-21-18(14-17)4-5-19(29-21)16-33-9-12-36-13-10-33/h1-6,11,14-15H,7-10,12-13,16H2,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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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