Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 400.4 BDBM50264492

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

Found 5 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))	BDBM50264492 (CHEMBL522589 | trans-4-[5-(5-Methyl-[1,2,4]oxadiaz...) Show SMILES Cc1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(20.48,-8.99,;19.93,-10.43,;18.44,-10.83,;18.37,-12.37,;19.8,-12.91,;20.77,-11.72,;17.08,-13.21,;17.16,-14.75,;15.88,-15.58,;14.52,-14.88,;13.08,-15.44,;12.11,-14.24,;12.96,-12.95,;14.44,-13.35,;15.72,-12.52,;10.58,-14.32,;9.74,-13.01,;8.2,-13.1,;7.49,-14.47,;8.33,-15.77,;9.88,-15.69,;6.79,-15.85,;5.26,-15.61,;4.18,-16.7,;5.02,-14.08,;3.73,-13.24,;3.81,-11.7,;5.2,-10.99,;6.49,-11.84,;6.41,-13.38,)| Show InChI InChI=1S/C23H20N4O3/c1-13-24-21(27-30-13)15-6-7-18-19(12-15)26-20(25-18)14-8-10-23(11-9-14)17-5-3-2-4-16(17)22(28)29-23/h2-7,12,14H,8-11H2,1H3,(H,25,26)/t14-,23-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells				Bioorg Med Chem Lett 18: 4997-5001 (2008) Article DOI: 10.1016/j.bmcl.2008.08.021 BindingDB Entry DOI: 10.7270/Q25H7G2P
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50264492 (CHEMBL522589 | trans-4-[5-(5-Methyl-[1,2,4]oxadiaz...) Show SMILES Cc1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(20.48,-8.99,;19.93,-10.43,;18.44,-10.83,;18.37,-12.37,;19.8,-12.91,;20.77,-11.72,;17.08,-13.21,;17.16,-14.75,;15.88,-15.58,;14.52,-14.88,;13.08,-15.44,;12.11,-14.24,;12.96,-12.95,;14.44,-13.35,;15.72,-12.52,;10.58,-14.32,;9.74,-13.01,;8.2,-13.1,;7.49,-14.47,;8.33,-15.77,;9.88,-15.69,;6.79,-15.85,;5.26,-15.61,;4.18,-16.7,;5.02,-14.08,;3.73,-13.24,;3.81,-11.7,;5.2,-10.99,;6.49,-11.84,;6.41,-13.38,)| Show InChI InChI=1S/C23H20N4O3/c1-13-24-21(27-30-13)15-6-7-18-19(12-15)26-20(25-18)14-8-10-23(11-9-14)17-5-3-2-4-16(17)22(28)29-23/h2-7,12,14H,8-11H2,1H3,(H,25,26)/t14-,23-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPYY5 receptor expressed in mouse LMtk cells assessed as inhibition of NPY-induced calcium increase				Bioorg Med Chem Lett 18: 4997-5001 (2008) Article DOI: 10.1016/j.bmcl.2008.08.021 BindingDB Entry DOI: 10.7270/Q25H7G2P
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50264492 (CHEMBL522589 | trans-4-[5-(5-Methyl-[1,2,4]oxadiaz...) Show SMILES Cc1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(20.48,-8.99,;19.93,-10.43,;18.44,-10.83,;18.37,-12.37,;19.8,-12.91,;20.77,-11.72,;17.08,-13.21,;17.16,-14.75,;15.88,-15.58,;14.52,-14.88,;13.08,-15.44,;12.11,-14.24,;12.96,-12.95,;14.44,-13.35,;15.72,-12.52,;10.58,-14.32,;9.74,-13.01,;8.2,-13.1,;7.49,-14.47,;8.33,-15.77,;9.88,-15.69,;6.79,-15.85,;5.26,-15.61,;4.18,-16.7,;5.02,-14.08,;3.73,-13.24,;3.81,-11.7,;5.2,-10.99,;6.49,-11.84,;6.41,-13.38,)| Show InChI InChI=1S/C23H20N4O3/c1-13-24-21(27-30-13)15-6-7-18-19(12-15)26-20(25-18)14-8-10-23(11-9-14)17-5-3-2-4-16(17)22(28)29-23/h2-7,12,14H,8-11H2,1H3,(H,25,26)/t14-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of NPYY4 receptor (unknown origin)				Bioorg Med Chem Lett 18: 4997-5001 (2008) Article DOI: 10.1016/j.bmcl.2008.08.021 BindingDB Entry DOI: 10.7270/Q25H7G2P
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50264492 (CHEMBL522589 | trans-4-[5-(5-Methyl-[1,2,4]oxadiaz...) Show SMILES Cc1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(20.48,-8.99,;19.93,-10.43,;18.44,-10.83,;18.37,-12.37,;19.8,-12.91,;20.77,-11.72,;17.08,-13.21,;17.16,-14.75,;15.88,-15.58,;14.52,-14.88,;13.08,-15.44,;12.11,-14.24,;12.96,-12.95,;14.44,-13.35,;15.72,-12.52,;10.58,-14.32,;9.74,-13.01,;8.2,-13.1,;7.49,-14.47,;8.33,-15.77,;9.88,-15.69,;6.79,-15.85,;5.26,-15.61,;4.18,-16.7,;5.02,-14.08,;3.73,-13.24,;3.81,-11.7,;5.2,-10.99,;6.49,-11.84,;6.41,-13.38,)| Show InChI InChI=1S/C23H20N4O3/c1-13-24-21(27-30-13)15-6-7-18-19(12-15)26-20(25-18)14-8-10-23(11-9-14)17-5-3-2-4-16(17)22(28)29-23/h2-7,12,14H,8-11H2,1H3,(H,25,26)/t14-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of NPYY1 receptor (unknown origin)				Bioorg Med Chem Lett 18: 4997-5001 (2008) Article DOI: 10.1016/j.bmcl.2008.08.021 BindingDB Entry DOI: 10.7270/Q25H7G2P
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50264492 (CHEMBL522589 | trans-4-[5-(5-Methyl-[1,2,4]oxadiaz...) Show SMILES Cc1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(20.48,-8.99,;19.93,-10.43,;18.44,-10.83,;18.37,-12.37,;19.8,-12.91,;20.77,-11.72,;17.08,-13.21,;17.16,-14.75,;15.88,-15.58,;14.52,-14.88,;13.08,-15.44,;12.11,-14.24,;12.96,-12.95,;14.44,-13.35,;15.72,-12.52,;10.58,-14.32,;9.74,-13.01,;8.2,-13.1,;7.49,-14.47,;8.33,-15.77,;9.88,-15.69,;6.79,-15.85,;5.26,-15.61,;4.18,-16.7,;5.02,-14.08,;3.73,-13.24,;3.81,-11.7,;5.2,-10.99,;6.49,-11.84,;6.41,-13.38,)| Show InChI InChI=1S/C23H20N4O3/c1-13-24-21(27-30-13)15-6-7-18-19(12-15)26-20(25-18)14-8-10-23(11-9-14)17-5-3-2-4-16(17)22(28)29-23/h2-7,12,14H,8-11H2,1H3,(H,25,26)/t14-,23-	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
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of NPYY2 receptor (unknown origin)				Bioorg Med Chem Lett 18: 4997-5001 (2008) Article DOI: 10.1016/j.bmcl.2008.08.021 BindingDB Entry DOI: 10.7270/Q25H7G2P
					More data for this Ligand-Target Pair