Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50233078'   

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))	BDBM50233078 (8-(1-benzyl-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C18H18N6O2/c1-2-8-24-17(25)14-16(22-18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,21)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-CPX from human A1 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ
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