Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50243660'   

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))	BDBM50243660 (2-Furan-2-yl-7-[2-(7-nitro-1,2,4,5-tetrahydro-benz...) Show SMILES Nc1nc2n(CCN3CCc4ccc(cc4CC3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H21N9O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-11-34-18)13-24-29(20)10-9-28-7-5-14-3-4-16(31(32)33)12-15(14)6-8-28/h1-4,11-13H,5-10H2,(H2,23,26)	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	0.700	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: 4204-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.069 BindingDB Entry DOI: 10.7270/Q2JS9Q7R
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