Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50156249'   

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))	BDBM50156249 (CHEMBL362136 | Thiophene-2-sulfonic acid [3-((R)-2...) Show SMILES C[C@H](Cc1c[nH]c2c(OCCN)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C25H30N4O4S2/c1-17(13-19-15-28-25-21(19)7-3-8-23(25)33-11-10-26)27-16-22(30)18-5-2-6-20(14-18)29-35(31,32)24-9-4-12-34-24/h2-9,12,14-15,17,22,27-30H,10-11,13,16,26H2,1H3/t17-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.30	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-3 adrenergic receptor				Bioorg Med Chem Lett 14: 5959-62 (2004) Article DOI: 10.1016/j.bmcl.2004.10.035 BindingDB Entry DOI: 10.7270/Q2GQ6X7S
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