Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50176829'   

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 A1 (BOVINE)	BDBM50176829 (CHEMBL225523 | butyl 1-(2-chloro-2-phenylethyl)-4-...) Show SMILES CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1 Show InChI InChI=1S/C23H27ClN4O2/c1-2-3-13-30-23(29)19-14-25-22-18(21(19)27-11-7-8-12-27)15-26-28(22)16-20(24)17-9-5-4-6-10-17/h4-6,9-10,14-15,20H,2-3,7-8,11-13,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair