Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50243661'   

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))	BDBM50243661 (7-[2-(7-Bromo-1,2,4,5-tetrahydro-benzo[d]azepin-3-...) Show SMILES Nc1nc2n(CCN3CCc4ccc(Br)cc4CC3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H21BrN8O/c23-16-4-3-14-5-7-29(8-6-15(14)12-16)9-10-30-20-17(13-25-30)21-26-19(18-2-1-11-32-18)28-31(21)22(24)27-20/h1-4,11-13H,5-10H2,(H2,24,27)	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	1.10	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
					More data for this Ligand-Target Pair