Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50316877'   

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))	BDBM50316877 (2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1...) Show SMILES CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1 Show InChI InChI=1S/C23H20FN5O2/c1-28-8-10-29(11-9-28)22(31)14-4-7-16-17(12-14)20-18(21(16)30)19(26-23(25)27-20)13-2-5-15(24)6-3-13/h2-7,12H,8-11H2,1H3,(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	11.1	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
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