Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 400.4 BDBM50264494

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))	BDBM50264494 (CHEMBL521750 | trans-4-[5-(2-Methyl-2H-tetrazol-5-...) Show SMILES Cn1nnc(n1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(29.77,-38.49,;29.22,-39.92,;30.06,-41.21,;29.1,-42.41,;27.66,-41.87,;27.74,-40.33,;26.37,-42.71,;26.46,-44.24,;25.17,-45.08,;23.81,-44.38,;22.38,-44.93,;21.41,-43.73,;22.25,-42.45,;23.73,-42.85,;25.01,-42.02,;19.87,-43.81,;19.03,-42.51,;17.49,-42.6,;16.79,-43.97,;17.63,-45.26,;19.17,-45.19,;16.08,-45.34,;14.56,-45.1,;13.47,-46.19,;14.32,-43.57,;13.03,-42.73,;13.1,-41.19,;14.49,-40.49,;15.78,-41.34,;15.7,-42.88,)| Show InChI InChI=1S/C22H20N6O2/c1-28-26-20(25-27-28)14-6-7-17-18(12-14)24-19(23-17)13-8-10-22(11-9-13)16-5-3-2-4-15(16)21(29)30-22/h2-7,12-13H,8-11H2,1H3,(H,23,24)/t13-,22-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	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))	BDBM50264494 (CHEMBL521750 | trans-4-[5-(2-Methyl-2H-tetrazol-5-...) Show SMILES Cn1nnc(n1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(29.77,-38.49,;29.22,-39.92,;30.06,-41.21,;29.1,-42.41,;27.66,-41.87,;27.74,-40.33,;26.37,-42.71,;26.46,-44.24,;25.17,-45.08,;23.81,-44.38,;22.38,-44.93,;21.41,-43.73,;22.25,-42.45,;23.73,-42.85,;25.01,-42.02,;19.87,-43.81,;19.03,-42.51,;17.49,-42.6,;16.79,-43.97,;17.63,-45.26,;19.17,-45.19,;16.08,-45.34,;14.56,-45.1,;13.47,-46.19,;14.32,-43.57,;13.03,-42.73,;13.1,-41.19,;14.49,-40.49,;15.78,-41.34,;15.7,-42.88,)| Show InChI InChI=1S/C22H20N6O2/c1-28-26-20(25-27-28)14-6-7-17-18(12-14)24-19(23-17)13-8-10-22(11-9-13)16-5-3-2-4-15(16)21(29)30-22/h2-7,12-13H,8-11H2,1H3,(H,23,24)/t13-,22-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	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))	BDBM50264494 (CHEMBL521750 | trans-4-[5-(2-Methyl-2H-tetrazol-5-...) Show SMILES Cn1nnc(n1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(29.77,-38.49,;29.22,-39.92,;30.06,-41.21,;29.1,-42.41,;27.66,-41.87,;27.74,-40.33,;26.37,-42.71,;26.46,-44.24,;25.17,-45.08,;23.81,-44.38,;22.38,-44.93,;21.41,-43.73,;22.25,-42.45,;23.73,-42.85,;25.01,-42.02,;19.87,-43.81,;19.03,-42.51,;17.49,-42.6,;16.79,-43.97,;17.63,-45.26,;19.17,-45.19,;16.08,-45.34,;14.56,-45.1,;13.47,-46.19,;14.32,-43.57,;13.03,-42.73,;13.1,-41.19,;14.49,-40.49,;15.78,-41.34,;15.7,-42.88,)| Show InChI InChI=1S/C22H20N6O2/c1-28-26-20(25-27-28)14-6-7-17-18(12-14)24-19(23-17)13-8-10-22(11-9-13)16-5-3-2-4-15(16)21(29)30-22/h2-7,12-13H,8-11H2,1H3,(H,23,24)/t13-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
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))	BDBM50264494 (CHEMBL521750 | trans-4-[5-(2-Methyl-2H-tetrazol-5-...) Show SMILES Cn1nnc(n1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(29.77,-38.49,;29.22,-39.92,;30.06,-41.21,;29.1,-42.41,;27.66,-41.87,;27.74,-40.33,;26.37,-42.71,;26.46,-44.24,;25.17,-45.08,;23.81,-44.38,;22.38,-44.93,;21.41,-43.73,;22.25,-42.45,;23.73,-42.85,;25.01,-42.02,;19.87,-43.81,;19.03,-42.51,;17.49,-42.6,;16.79,-43.97,;17.63,-45.26,;19.17,-45.19,;16.08,-45.34,;14.56,-45.1,;13.47,-46.19,;14.32,-43.57,;13.03,-42.73,;13.1,-41.19,;14.49,-40.49,;15.78,-41.34,;15.7,-42.88,)| Show InChI InChI=1S/C22H20N6O2/c1-28-26-20(25-27-28)14-6-7-17-18(12-14)24-19(23-17)13-8-10-22(11-9-13)16-5-3-2-4-15(16)21(29)30-22/h2-7,12-13H,8-11H2,1H3,(H,23,24)/t13-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
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))	BDBM50264494 (CHEMBL521750 | trans-4-[5-(2-Methyl-2H-tetrazol-5-...) Show SMILES Cn1nnc(n1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(29.77,-38.49,;29.22,-39.92,;30.06,-41.21,;29.1,-42.41,;27.66,-41.87,;27.74,-40.33,;26.37,-42.71,;26.46,-44.24,;25.17,-45.08,;23.81,-44.38,;22.38,-44.93,;21.41,-43.73,;22.25,-42.45,;23.73,-42.85,;25.01,-42.02,;19.87,-43.81,;19.03,-42.51,;17.49,-42.6,;16.79,-43.97,;17.63,-45.26,;19.17,-45.19,;16.08,-45.34,;14.56,-45.1,;13.47,-46.19,;14.32,-43.57,;13.03,-42.73,;13.1,-41.19,;14.49,-40.49,;15.78,-41.34,;15.7,-42.88,)| Show InChI InChI=1S/C22H20N6O2/c1-28-26-20(25-27-28)14-6-7-17-18(12-14)24-19(23-17)13-8-10-22(11-9-13)16-5-3-2-4-15(16)21(29)30-22/h2-7,12-13H,8-11H2,1H3,(H,23,24)/t13-,22-	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
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