Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50106842'   

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))	BDBM50106842 (CHEMBL318074 | N-{5-[2-(1-Benzo[b]thiophen-5-yl-2-...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccc2sccc2c1 Show InChI InChI=1S/C25H26N2O4S2/c1-33(30,31)27-22-15-19(7-9-23(22)28)24(29)16-26-21(13-17-5-3-2-4-6-17)18-8-10-25-20(14-18)11-12-32-25/h2-12,14-15,21,24,26-29H,13,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	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 to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol				Bioorg Med Chem Lett 11: 3041-4 (2001) BindingDB Entry DOI: 10.7270/Q2794402
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