Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50169313'   

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))	BDBM50169313 (2-Furan-2-yl-7-[3-(4-thiazol-2-yl-piperazin-1-ylme...) Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCN(CC2)c2nccs2)c1 Show InChI InChI=1S/C23H22N8OS/c24-22-26-18(14-20-27-21(28-31(20)22)19-5-2-11-32-19)17-4-1-3-16(13-17)15-29-7-9-30(10-8-29)23-25-6-12-33-23/h1-6,11-14H,7-10,15H2,(H2,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	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 In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat				Bioorg Med Chem Lett 15: 3670-4 (2005) Article DOI: 10.1016/j.bmcl.2005.05.086 BindingDB Entry DOI: 10.7270/Q279446R
					More data for this Ligand-Target Pair