Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50078785'   

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))	BDBM50078785 (1-(4-octyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-...) Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C25H31N3O2S2/c1-2-3-4-5-6-8-13-22-19-31-25(26-22)28-17-16-20-18-23(14-15-24(20)28)32(29,30)27-21-11-9-7-10-12-21/h7,9-12,14-15,18-19,27H,2-6,8,13,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...				Bioorg Med Chem Lett 9: 1869-74 (1999) BindingDB Entry DOI: 10.7270/Q2FN15D1
					More data for this Ligand-Target Pair