Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50165062'   

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))	BDBM50165062 (6-Furan-2-yl-9-(3-methoxy-benzyl)-9H-purin-2-ylami...) Show SMILES COc1cccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)c1 Show InChI InChI=1S/C17H15N5O2/c1-23-12-5-2-4-11(8-12)9-22-10-19-15-14(13-6-3-7-24-13)20-17(18)21-16(15)22/h2-8,10H,9H2,1H3,(H2,18,20,21)	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	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50165062 (6-Furan-2-yl-9-(3-methoxy-benzyl)-9H-purin-2-ylami...) Show SMILES COc1cccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)c1 Show InChI InChI=1S/C17H15N5O2/c1-23-12-5-2-4-11(8-12)9-22-10-19-15-14(13-6-3-7-24-13)20-17(18)21-16(15)22/h2-8,10H,9H2,1H3,(H2,18,20,21)	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	12.3	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 Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes				Bioorg Med Chem Lett 15: 2119-22 (2005) Article DOI: 10.1016/j.bmcl.2005.02.031 BindingDB Entry DOI: 10.7270/Q2542N3H
					More data for this Ligand-Target Pair