Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 605.7 BDBM50099165

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))	BDBM50099165 (8-Hydroxy-5-((S)-2-hydroxy-3-{1-[4-(4-oxo-2-piperi...) Show SMILES O[C@@H](CNC1CCN(CC1)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1)COc1ccc(O)c2NC(=O)CCc12 |c:18| Show InChI InChI=1S/C32H39N5O5S/c38-24(20-42-27-10-9-26(39)30-25(27)8-11-29(40)34-30)19-33-22-12-16-36(17-13-22)23-6-4-21(5-7-23)18-28-31(41)35-32(43-28)37-14-2-1-3-15-37/h4-7,9-10,18,22,24,33,38-39H,1-3,8,11-17,19-20H2,(H,34,40)/b28-18-/t24-/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	6	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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