Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 576.7 BDBM50099158

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))	BDBM50099158 (4-((S)-2-Hydroxy-3-{1-[4-(4-oxo-2-piperidin-1-yl-4...) Show SMILES O[C@@H](CNC1CCN(CC1)c1ccc(C=C2SC(=NC2=O)N2CCCCC2)cc1)COc1cccc2[nH]c(=O)[nH]c12 |w:14.14,c:18| Show InChI InChI=1S/C30H36N6O4S/c37-23(19-40-25-6-4-5-24-27(25)33-29(39)32-24)18-31-21-11-15-35(16-12-21)22-9-7-20(8-10-22)17-26-28(38)34-30(41-26)36-13-2-1-3-14-36/h4-10,17,21,23,31,37H,1-3,11-16,18-19H2,(H2,32,33,39)/t23-/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	9	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
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