Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.6 BDBM50135645

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

Found 2 hits 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
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50135645 ((E)-N-(2-Benzylsulfanyl-phenyl)-N-(3-dimethylamino...) Show SMILES CN(C)CCCN(C(=O)\C=C\c1ccccc1)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C27H30N2OS/c1-28(2)20-11-21-29(27(30)19-18-23-12-5-3-6-13-23)25-16-9-10-17-26(25)31-22-24-14-7-4-8-15-24/h3-10,12-19H,11,20-22H2,1-2H3/b19-18+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-PYY from NPYY2 receptor (unknown origin)				Bioorg Med Chem Lett 24: 430-41 (2014) Article DOI: 10.1016/j.bmcl.2013.11.061 BindingDB Entry DOI: 10.7270/Q2H133HQ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50135645 ((E)-N-(2-Benzylsulfanyl-phenyl)-N-(3-dimethylamino...) Show SMILES CN(C)CCCN(C(=O)\C=C\c1ccccc1)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C27H30N2OS/c1-28(2)20-11-21-29(27(30)19-18-23-12-5-3-6-13-23)25-16-9-10-17-26(25)31-22-24-14-7-4-8-15-24/h3-10,12-19H,11,20-22H2,1-2H3/b19-18+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand				Bioorg Med Chem Lett 13: 2883-5 (2003) BindingDB Entry DOI: 10.7270/Q2F47NJQ
					More data for this Ligand-Target Pair