Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50092647'   

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))	BDBM50092647 (CHEMBL338216 | N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-e...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cc(F)c(F)c(F)c2)cc1)c1cccnc1 Show InChI InChI=1S/C30H25F3N4O3S2/c31-25-14-22(15-26(32)29(25)33)27-18-41-30(36-27)20-5-9-24(10-6-20)42(39,40)37-23-7-3-19(4-8-23)11-13-35-17-28(38)21-2-1-12-34-16-21/h1-10,12,14-16,18,28,35,37-38H,11,13,17H2/t28-/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	6.30	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional efficacy as increased cAMP in chinese hamster ovary (CHO) cells expressing human beta3 receptor				J Med Chem 43: 3832-6 (2000) BindingDB Entry DOI: 10.7270/Q2057F5M
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