Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50316872'   

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))	BDBM50316872 (2-amino-N-(2-morpholinoethyl)-5-oxo-4-phenyl-5H-in...) Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C24H23N5O3/c25-24-27-20(15-4-2-1-3-5-15)19-21(28-24)18-14-16(6-7-17(18)22(19)30)23(31)26-8-9-29-10-12-32-13-11-29/h1-7,14H,8-13H2,(H,26,31)(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonistic activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2868-71 (2010) Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB
					More data for this Ligand-Target Pair