Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 410.5 BDBM50462286

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50462286 (CHEMBL4248369) Show SMILES CC(C)NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 |r| Show InChI InChI=1S/C23H30N4O3/c1-16(2)26-23(29)27-18-8-6-17(7-9-18)10-12-24-14-19(28)15-30-22-5-3-4-21-20(22)11-13-25-21/h3-9,11,13,16,19,24-25,28H,10,12,14-15H2,1-2H3,(H2,26,27,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Antagonist activity at human beta3 adrenergic receptor expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of isoproterenol-induc...				Eur J Med Chem 150: 757-770 (2018) Article DOI: 10.1016/j.ejmech.2018.03.032 BindingDB Entry DOI: 10.7270/Q2DV1NJC
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