Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50078798'   

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50078798 (1-(5-octyl-1,2,4-oxadiazol-3-yl)-N-phenyl-2,3-dihy...) Show SMILES CCCCCCCCc1nc(no1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C24H30N4O3S/c1-2-3-4-5-6-10-13-23-25-24(26-31-23)28-17-16-19-18-21(14-15-22(19)28)32(29,30)27-20-11-8-7-9-12-20/h7-9,11-12,14-15,18,27H,2-6,10,13,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro agonistic activity against cloned human beta-3 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cA...				Bioorg Med Chem Lett 9: 1869-74 (1999) BindingDB Entry DOI: 10.7270/Q2FN15D1
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