Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50214214'   

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))	BDBM50214214 ((R)-N-(3-(2-(bis(4-methoxyphenyl)methylamino)-1-hy...) Show SMILES COc1ccc(cc1)C(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1F)c1ccc(OC)cc1 Show InChI InChI=1S/C24H27FN2O6S/c1-32-17-8-4-15(5-9-17)23(16-6-10-18(33-2)11-7-16)26-14-21(29)19-12-13-20(28)24(22(19)25)27-34(3,30)31/h4-13,21,23,26-29H,14H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	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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