Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 476.6 BDBM50114979

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

Found 3 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))	BDBM50114979 (CHEMBL415926 | Naphthalene-2-sulfonic acid (4-{[(1...) Show SMILES O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 |wU:5.4,wD:8.8,(-1.75,.27,;-1.73,-1.27,;-1.32,-2.77,;-.39,-2.04,;.94,-1.27,;2.28,-2.04,;3.61,-1.25,;4.94,-2.02,;4.94,-3.56,;6.29,-4.33,;7.62,-3.56,;8.96,-4.33,;10.3,-3.56,;10.29,-2.04,;11.63,-1.27,;12.96,-2.04,;14.29,-1.29,;15.62,-2.04,;15.6,-3.59,;14.27,-4.36,;12.95,-3.59,;11.63,-4.36,;3.61,-4.33,;2.28,-3.59,;-3.06,-2.07,;-3.06,-3.61,;-4.41,-4.38,;-5.74,-3.61,;-7.08,-4.38,;-8.41,-3.61,;-8.41,-2.07,;-7.08,-1.29,;-5.74,-2.07,;-4.41,-1.29,)| Show InChI InChI=1S/C29H36N2O2S/c32-34(33,29-16-15-26-6-2-4-8-28(26)18-29)31-21-23-11-9-22(10-12-23)19-30-20-24-13-14-25-5-1-3-7-27(25)17-24/h1-8,15-16,18,22-24,30-31H,9-14,17,19-21H2/t22-,23-,24?	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Tested for radioligand binding affinity against membranes from COS-7 cells transiently transfected with Neuropeptide Y receptor type 5				Bioorg Med Chem Lett 12: 1767-9 (2002) BindingDB Entry DOI: 10.7270/Q2JD4W4S
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50114979 (CHEMBL415926 | Naphthalene-2-sulfonic acid (4-{[(1...) Show SMILES O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 |wU:5.4,wD:8.8,(-1.75,.27,;-1.73,-1.27,;-1.32,-2.77,;-.39,-2.04,;.94,-1.27,;2.28,-2.04,;3.61,-1.25,;4.94,-2.02,;4.94,-3.56,;6.29,-4.33,;7.62,-3.56,;8.96,-4.33,;10.3,-3.56,;10.29,-2.04,;11.63,-1.27,;12.96,-2.04,;14.29,-1.29,;15.62,-2.04,;15.6,-3.59,;14.27,-4.36,;12.95,-3.59,;11.63,-4.36,;3.61,-4.33,;2.28,-3.59,;-3.06,-2.07,;-3.06,-3.61,;-4.41,-4.38,;-5.74,-3.61,;-7.08,-4.38,;-8.41,-3.61,;-8.41,-2.07,;-7.08,-1.29,;-5.74,-2.07,;-4.41,-1.29,)| Show InChI InChI=1S/C29H36N2O2S/c32-34(33,29-16-15-26-6-2-4-8-28(26)18-29)31-21-23-11-9-22(10-12-23)19-30-20-24-13-14-25-5-1-3-7-27(25)17-24/h1-8,15-16,18,22-24,30-31H,9-14,17,19-21H2/t22-,23-,24?	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes				Bioorg Med Chem Lett 12: 1771-4 (2002) BindingDB Entry DOI: 10.7270/Q2DN44C0
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50114979 (CHEMBL415926 | Naphthalene-2-sulfonic acid (4-{[(1...) Show SMILES O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 |wU:5.4,wD:8.8,(-1.75,.27,;-1.73,-1.27,;-1.32,-2.77,;-.39,-2.04,;.94,-1.27,;2.28,-2.04,;3.61,-1.25,;4.94,-2.02,;4.94,-3.56,;6.29,-4.33,;7.62,-3.56,;8.96,-4.33,;10.3,-3.56,;10.29,-2.04,;11.63,-1.27,;12.96,-2.04,;14.29,-1.29,;15.62,-2.04,;15.6,-3.59,;14.27,-4.36,;12.95,-3.59,;11.63,-4.36,;3.61,-4.33,;2.28,-3.59,;-3.06,-2.07,;-3.06,-3.61,;-4.41,-4.38,;-5.74,-3.61,;-7.08,-4.38,;-8.41,-3.61,;-8.41,-2.07,;-7.08,-1.29,;-5.74,-2.07,;-4.41,-1.29,)| Show InChI InChI=1S/C29H36N2O2S/c32-34(33,29-16-15-26-6-2-4-8-28(26)18-29)31-21-23-11-9-22(10-12-23)19-30-20-24-13-14-25-5-1-3-7-27(25)17-24/h1-8,15-16,18,22-24,30-31H,9-14,17,19-21H2/t22-,23-,24?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Tested for radioligand binding affinity against membranes from COS-7 cells transiently transfected with Neuropeptide Y receptor type 1				Bioorg Med Chem Lett 12: 1767-9 (2002) BindingDB Entry DOI: 10.7270/Q2JD4W4S
					More data for this Ligand-Target Pair