Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50151183'   

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))	BDBM50151183 (5-(4-Benzyl-piperazin-1-yl)-2-furan-2-yl-[1,2,4]tr...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H20N8O/c20-17-22-18(23-19-21-16(24-27(17)19)15-7-4-12-28-15)26-10-8-25(9-11-26)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50151183 (5-(4-Benzyl-piperazin-1-yl)-2-furan-2-yl-[1,2,4]tr...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H20N8O/c20-17-22-18(23-19-21-16(24-27(17)19)15-7-4-12-28-15)26-10-8-25(9-11-26)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair