Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50264138'   

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))	BDBM50264138 ((R)-2-acetamido-5-(3-(2-(2-hydroxy-2-(pyridin-3-yl...) Show SMILES CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(O)=O |r| Show InChI InChI=1S/C24H25N3O5/c1-16(28)27-22-8-7-20(13-21(22)24(30)31)32-19-6-2-4-17(12-19)9-11-26-15-23(29)18-5-3-10-25-14-18/h2-8,10,12-14,23,26,29H,9,11,15H2,1H3,(H,27,28)(H,30,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem Lett 18: 5037-40 (2008) Article DOI: 10.1016/j.bmcl.2008.08.009 BindingDB Entry DOI: 10.7270/Q21R6QBZ
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