Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50106831'   

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))	BDBM50106831 (CHEMBL105559 | N-{2-Hydroxy-5-[1-hydroxy-2-(2-phen...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccncc1 Show InChI InChI=1S/C22H25N3O4S/c1-30(28,29)25-20-14-18(7-8-21(20)26)22(27)15-24-19(17-9-11-23-12-10-17)13-16-5-3-2-4-6-16/h2-12,14,19,22,24-27H,13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	700	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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