Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50416064'   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50416064 (CHEMBL1084656) Show SMILES NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C24H36N2O7S/c25-34(30,31)22-7-5-6-19(14-22)18-33-13-12-32-11-4-2-1-3-10-26-16-24(29)20-8-9-23(28)21(15-20)17-27/h5-9,14-15,24,26-29H,1-4,10-13,16-18H2,(H2,25,30,31)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation afte...				J Med Chem 53: 4522-30 (2010) Article DOI: 10.1021/jm100326d BindingDB Entry DOI: 10.7270/Q23N24N1
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