Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50317022'   

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))	BDBM50317022 (2-amino-9-(morpholinomethyl)-4-phenyl-5H-indeno[1,...) Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O2/c23-22-24-19(14-5-2-1-3-6-14)18-20(25-22)17-15(7-4-8-16(17)21(18)27)13-26-9-11-28-12-10-26/h1-8H,9-13H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	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 Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
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