Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50409965'   

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))	BDBM50409965 (CHEMBL373188) Show SMILES CC(=O)NCCCCCc1csc(Cc2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)n1 Show InChI InChI=1S/C33H40N4O4S2/c1-25(38)35-20-7-3-6-10-30-24-42-33(36-30)22-27-13-17-31(18-14-27)43(40,41)37-29-15-11-26(12-16-29)19-21-34-23-32(39)28-8-4-2-5-9-28/h2,4-5,8-9,11-18,24,32,34,37,39H,3,6-7,10,19-23H2,1H3,(H,35,38)/t32-/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
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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