Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50099163'   

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))	BDBM50099163 (CHEMBL178848 | N-[2-Hydroxy-5-((R)-1-hydroxy-2-{1-...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(C=C2SC(NO)=NC2=O)cc1 |w:26.27,c:33| Show InChI InChI=1S/C24H29N5O6S2/c1-37(34,35)28-19-13-16(4-7-20(19)30)21(31)14-25-17-8-10-29(11-9-17)18-5-2-15(3-6-18)12-22-23(32)26-24(27-33)36-22/h2-7,12-13,17,21,25,28,30-31,33H,8-11,14H2,1H3,(H,26,27,32)/t21-/m0/s1	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	80	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
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