Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50106794'   

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))	BDBM50106794 ((R)-N-(5-(2-(bis(4-(difluoromethoxy)phenyl)methyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1 Show InChI InChI=1S/C24H24F4N2O6S/c1-37(33,34)30-19-12-16(6-11-20(19)31)21(32)13-29-22(14-2-7-17(8-3-14)35-23(25)26)15-4-9-18(10-5-15)36-24(27)28/h2-12,21-24,29-32H,13H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	160	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 Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol				Bioorg Med Chem Lett 11: 3035-9 (2001) BindingDB Entry DOI: 10.7270/Q2MS3T97
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