Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50214219'   

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))	BDBM50214219 ((R)-N-(5-(4-(4-methoxybenzylamino)-3-hydroxybutano...) Show SMILES COc1ccc(CNC[C@H](O)CC(=O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 Show InChI InChI=1S/C19H24N2O6S/c1-27-16-6-3-13(4-7-16)11-20-12-15(22)10-19(24)14-5-8-18(23)17(9-14)21-28(2,25)26/h3-9,15,20-23H,10-12H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4290-6 (2007) Article DOI: 10.1016/j.bmcl.2007.05.030 BindingDB Entry DOI: 10.7270/Q2M61JZT
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