Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50152243'   

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 (Rattus norvegicus (rat))	BDBM50152243 (2-Furan-2-yl-N*5*-methyl-N*5*-[2-(4-phenyl-piperaz...) Show SMILES CN(CCN1CCN(CC1)c1ccccc1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C21H25N9O/c1-27(9-10-28-11-13-29(14-12-28)16-6-3-2-4-7-16)20-24-19(22)30-21(25-20)23-18(26-30)17-8-5-15-31-17/h2-8,15H,9-14H2,1H3,(H2,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor determined using [3H]-ZM-241,385 as radioligand				Bioorg Med Chem Lett 14: 4835-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.048 BindingDB Entry DOI: 10.7270/Q27S7N8T
					More data for this Ligand-Target Pair