Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.5 BDBM50097803

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))	BDBM50097803 (4-(4-{(R)-2-Hydroxy-2-[4-hydroxy-3-(methanesulfony...) Show SMILES CN(c1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(O)=O)S(C)(=O)=O Show InChI InChI=1S/C22H29N3O6S/c1-24(32(2,30)31)19-13-16(5-8-20(19)26)21(27)14-23-17-9-11-25(12-10-17)18-6-3-15(4-7-18)22(28)29/h3-8,13,17,21,23,26-27H,9-12,14H2,1-2H3,(H,28,29)/t21-/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	220	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Agonistic activity as cAMP accumulation in CHO cells expressing human beta-3-andrenergic receptor				Bioorg Med Chem Lett 11: 757-60 (2001) BindingDB Entry DOI: 10.7270/Q2BP022B
					More data for this Ligand-Target Pair