Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50170135'   

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))	BDBM50170135 (1-Benzyl-7-tert-butyl-3-propyl-1H,8H-imidazo[2,1-f...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)(C)C Show InChI InChI=1S/C21H25N5O2/c1-5-11-24-18(27)16-17(23-19-22-15(13-25(16)19)21(2,3)4)26(20(24)28)12-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,22,23)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 16: 10281-94 (2008) Article DOI: 10.1016/j.bmc.2008.10.049 BindingDB Entry DOI: 10.7270/Q2CZ3715
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170135 (1-Benzyl-7-tert-butyl-3-propyl-1H,8H-imidazo[2,1-f...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)(C)C Show InChI InChI=1S/C21H25N5O2/c1-5-11-24-18(27)16-17(23-19-22-15(13-25(16)19)21(2,3)4)26(20(24)28)12-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,22,23)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM 241385 binding to human adenosine A2a receptor expressed in CHO cells				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair