Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50106790'   

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))	BDBM50106790 (CHEMBL101591 | N-{5-[2-(1-Benzyl-hexylamino)-1-hyd...) Show SMILES CCCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C22H32N2O4S/c1-3-4-6-11-19(14-17-9-7-5-8-10-17)23-16-22(26)18-12-13-21(25)20(15-18)24-29(2,27)28/h5,7-10,12-13,15,19,22-26H,3-4,6,11,14,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	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 against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol				Bioorg Med Chem Lett 11: 3035-9 (2001) BindingDB Entry DOI: 10.7270/Q2MS3T97
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