Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50409974'   

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))	BDBM50409974 (CHEMBL371334) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(cs3)-c3cccnc3)cc2)cc1)c1ccccc1 Show InChI InChI=1S/C31H30N4O3S2/c36-30(25-5-2-1-3-6-25)21-33-18-16-23-8-12-27(13-9-23)35-40(37,38)28-14-10-24(11-15-28)19-31-34-29(22-39-31)26-7-4-17-32-20-26/h1-15,17,20,22,30,33,35-36H,16,18-19,21H2/t30-/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	40	n/a	n/a	n/a	n/a
S.G.S.I.T.S. Curated by ChEMBL					Assay Description Effective concentration to stimulate cAMP production in chinese hamster ovary cells expressing cloned human beta-3-adrenergic receptor				Bioorg Med Chem Lett 15: 3167-73 (2005) Article DOI: 10.1016/j.bmcl.2005.03.119 BindingDB Entry DOI: 10.7270/Q26111JS
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