Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50252112'   

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))	BDBM50252112 (7-(2-[3,3']Bipyridinyl-6-yl-ethyl)-2-furan-2-yl-7H...) Show SMILES Nc1nc2n(CCc3ccc(cn3)-c3cccnc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H17N9O/c23-22-28-20-17(21-27-19(29-31(21)22)18-4-2-10-32-18)13-26-30(20)9-7-16-6-5-15(12-25-16)14-3-1-8-24-11-14/h1-6,8,10-13H,7,9H2,(H2,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.4	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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