Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50324978'   

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 (Homo sapiens (Human))	BDBM50324978 (3-Methyl-N-(5-[1,2,4]oxadiazol-3-yl-4-phenyl-thiaz...) Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1ncon1)-c1ccccc1 Show InChI InChI=1S/C16H16N4O2S/c1-10(2)8-12(21)18-16-19-13(11-6-4-3-5-7-11)14(23-16)15-17-9-22-20-15/h3-7,9-10H,8H2,1-2H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
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