Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50317020'   

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))	BDBM50317020 (9-((4-acetylpiperazin-1-yl)methyl)-2-amino-4-pheny...) Show SMILES CC(=O)N1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1 Show InChI InChI=1S/C24H23N5O2/c1-15(30)29-12-10-28(11-13-29)14-17-8-5-9-18-19(17)22-20(23(18)31)21(26-24(25)27-22)16-6-3-2-4-7-16/h2-9H,10-14H2,1H3,(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	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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