Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 495.0 BDBM50135640

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))	BDBM50135640 (3-Chloro-benzo[b]thiophene-2-carboxylic acid (2-be...) Show SMILES CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C27H27ClN2OS2/c1-29(2)17-10-18-30(27(31)26-25(28)21-13-6-8-15-23(21)33-26)22-14-7-9-16-24(22)32-19-20-11-4-3-5-12-20/h3-9,11-16H,10,17-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50135640 (3-Chloro-benzo[b]thiophene-2-carboxylic acid (2-be...) Show SMILES CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C27H27ClN2OS2/c1-29(2)17-10-18-30(27(31)26-25(28)21-13-6-8-15-23(21)33-26)22-14-7-9-16-24(22)32-19-20-11-4-3-5-12-20/h3-9,11-16H,10,17-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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