Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50092028'   

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))	BDBM50092028 (CHEMBL65461 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1 Show InChI InChI=1S/C31H29F3N6O3S/c32-31(33,34)25-7-3-23(4-8-25)18-27-20-37-40(38-27)28-11-13-29(14-12-28)44(42,43)39-26-9-5-22(6-10-26)15-17-36-21-30(41)24-2-1-16-35-19-24/h1-14,16,19-20,30,36,39,41H,15,17-18,21H2/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	3.10	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to stimulate increase in cAMP in CHO cellsexpressing the cloned human beta-3 adrenergic receptor				Bioorg Med Chem Lett 10: 2111-4 (2000) BindingDB Entry DOI: 10.7270/Q2X929JR
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