Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 584.7 BDBM50070180

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))	BDBM50070180 (3-(3-Hexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(4-hyd...) Show SMILES CCCCCCNC(=O)Nc1cccc(c1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-18-32-30(37)33-25-7-6-8-29(20-25)41(38,39)34-24-11-9-23(10-12-24)17-19-31-21-27(36)22-40-28-15-13-26(35)14-16-28/h6-16,20,27,31,34-36H,2-5,17-19,21-22H2,1H3,(H2,32,33,37)/t27-/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	4.60	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards human Beta-3 adrenergic receptor				Bioorg Med Chem Lett 8: 1107-12 (1999) BindingDB Entry DOI: 10.7270/Q2QZ2942
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