Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 485.6 BDBM50139105

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 5 (Homo sapiens (Human))	BDBM50139105 (CHEMBL158344 | N-{4-[N'-(Benzo[b]thiophene-2-carbo...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:12.12,wD:15.19,(-2.29,-.98,;-.93,-.24,;.38,-1.06,;1.73,-.33,;1.78,1.19,;.47,2.02,;-.88,1.3,;3.13,1.91,;2.38,3.42,;4.42,3.12,;4.44,1.1,;5.81,1.82,;7.11,1,;8.47,1.73,;9.77,.92,;9.72,-.61,;8.37,-1.35,;7.05,-.54,;11.03,-1.43,;10.98,-2.97,;12.38,-.71,;13.7,-1.52,;15.05,-.79,;15.1,.75,;16.36,-1.59,;16.47,-3.13,;17.96,-3.5,;18.69,-4.86,;20.24,-4.91,;21.04,-3.58,;20.31,-2.22,;18.77,-2.19,;17.78,-1.01,)| Show InChI InChI=1S/C24H27N3O4S2/c1-16-6-12-20(13-7-16)33(30,31)25-15-17-8-10-18(11-9-17)23(28)26-27-24(29)22-14-19-4-2-3-5-21(19)32-22/h2-7,12-14,17-18,25H,8-11,15H2,1H3,(H,26,28)(H,27,29)/t17-,18-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Human Neuropeptide Y5 receptor binding affinity				Bioorg Med Chem Lett 14: 597-9 (2004) BindingDB Entry DOI: 10.7270/Q2513XMW
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50139105 (CHEMBL158344 | N-{4-[N'-(Benzo[b]thiophene-2-carbo...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:12.12,wD:15.19,(-2.29,-.98,;-.93,-.24,;.38,-1.06,;1.73,-.33,;1.78,1.19,;.47,2.02,;-.88,1.3,;3.13,1.91,;2.38,3.42,;4.42,3.12,;4.44,1.1,;5.81,1.82,;7.11,1,;8.47,1.73,;9.77,.92,;9.72,-.61,;8.37,-1.35,;7.05,-.54,;11.03,-1.43,;10.98,-2.97,;12.38,-.71,;13.7,-1.52,;15.05,-.79,;15.1,.75,;16.36,-1.59,;16.47,-3.13,;17.96,-3.5,;18.69,-4.86,;20.24,-4.91,;21.04,-3.58,;20.31,-2.22,;18.77,-2.19,;17.78,-1.01,)| Show InChI InChI=1S/C24H27N3O4S2/c1-16-6-12-20(13-7-16)33(30,31)25-15-17-8-10-18(11-9-17)23(28)26-27-24(29)22-14-19-4-2-3-5-21(19)32-22/h2-7,12-14,17-18,25H,8-11,15H2,1H3,(H,26,28)(H,27,29)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Universidad de Navarra Curated by ChEMBL					Assay Description Human Neuropeptide Y1 receptor binding affinity				Bioorg Med Chem Lett 14: 597-9 (2004) BindingDB Entry DOI: 10.7270/Q2513XMW
					More data for this Ligand-Target Pair