Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50090152'   

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))	BDBM50090152 (4-[2-((R)-4-Fluoro-phenoxymethyl)-oxazol-4-yl]-N-{...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(F)cc3)n2)cc1)c1cccnc1 Show InChI InChI=1S/C31H29FN4O5S/c32-25-7-11-27(12-8-25)40-21-31-35-29(20-41-31)23-5-13-28(14-6-23)42(38,39)36-26-9-3-22(4-10-26)15-17-34-19-30(37)24-2-1-16-33-18-24/h1-14,16,18,20,30,34,36-37H,15,17,19,21H2/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.				Bioorg Med Chem Lett 10: 1531-4 (2000) BindingDB Entry DOI: 10.7270/Q21C1W4N
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