Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 418.4 BDBM50301642

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

Found 4 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))	BDBM50301642 (CHEMBL567495 | trans-N-(5-(2-fluorophenyl)pyrimidi...) Show SMILES Fc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1 |r,wU:17.21,wD:14.14,(31.68,5.18,;31.69,3.64,;33.02,2.88,;33.03,1.33,;31.69,.56,;30.36,1.33,;30.36,2.87,;29.03,3.64,;27.69,2.87,;26.36,3.64,;26.37,5.18,;25.04,5.95,;23.7,5.18,;22.37,5.95,;23.7,3.64,;22.37,2.86,;22.37,1.32,;23.7,.56,;25.03,1.32,;25.03,2.86,;24.62,-.69,;23.72,-1.95,;24.2,-3.41,;22.24,-1.48,;20.9,-2.25,;19.56,-1.48,;19.57,.06,;20.9,.83,;22.23,.07,;27.69,5.95,;29.02,5.19,)| Show InChI InChI=1S/C23H19FN4O3/c24-19-4-2-1-3-16(19)15-11-26-22(27-12-15)28-20(29)14-5-8-23(9-6-14)18-7-10-25-13-17(18)21(30)31-23/h1-4,7,10-14H,5-6,8-9H2,(H,26,27,28,29)/t14-,23-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human recombinant NPY Y5 receptor expressed in mouse LMtk cells				Bioorg Med Chem Lett 19: 5436-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.103 BindingDB Entry DOI: 10.7270/Q27D2V6Q
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50301642 (CHEMBL567495 | trans-N-(5-(2-fluorophenyl)pyrimidi...) Show SMILES Fc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1 |r,wU:17.21,wD:14.14,(31.68,5.18,;31.69,3.64,;33.02,2.88,;33.03,1.33,;31.69,.56,;30.36,1.33,;30.36,2.87,;29.03,3.64,;27.69,2.87,;26.36,3.64,;26.37,5.18,;25.04,5.95,;23.7,5.18,;22.37,5.95,;23.7,3.64,;22.37,2.86,;22.37,1.32,;23.7,.56,;25.03,1.32,;25.03,2.86,;24.62,-.69,;23.72,-1.95,;24.2,-3.41,;22.24,-1.48,;20.9,-2.25,;19.56,-1.48,;19.57,.06,;20.9,.83,;22.23,.07,;27.69,5.95,;29.02,5.19,)| Show InChI InChI=1S/C23H19FN4O3/c24-19-4-2-1-3-16(19)15-11-26-22(27-12-15)28-20(29)14-5-8-23(9-6-14)18-7-10-25-13-17(18)21(30)31-23/h1-4,7,10-14H,5-6,8-9H2,(H,26,27,28,29)/t14-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of human NPY Y4 receptor				Bioorg Med Chem Lett 19: 5436-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.103 BindingDB Entry DOI: 10.7270/Q27D2V6Q
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50301642 (CHEMBL567495 | trans-N-(5-(2-fluorophenyl)pyrimidi...) Show SMILES Fc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1 |r,wU:17.21,wD:14.14,(31.68,5.18,;31.69,3.64,;33.02,2.88,;33.03,1.33,;31.69,.56,;30.36,1.33,;30.36,2.87,;29.03,3.64,;27.69,2.87,;26.36,3.64,;26.37,5.18,;25.04,5.95,;23.7,5.18,;22.37,5.95,;23.7,3.64,;22.37,2.86,;22.37,1.32,;23.7,.56,;25.03,1.32,;25.03,2.86,;24.62,-.69,;23.72,-1.95,;24.2,-3.41,;22.24,-1.48,;20.9,-2.25,;19.56,-1.48,;19.57,.06,;20.9,.83,;22.23,.07,;27.69,5.95,;29.02,5.19,)| Show InChI InChI=1S/C23H19FN4O3/c24-19-4-2-1-3-16(19)15-11-26-22(27-12-15)28-20(29)14-5-8-23(9-6-14)18-7-10-25-13-17(18)21(30)31-23/h1-4,7,10-14H,5-6,8-9H2,(H,26,27,28,29)/t14-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of human NPY Y1 receptor				Bioorg Med Chem Lett 19: 5436-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.103 BindingDB Entry DOI: 10.7270/Q27D2V6Q
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50301642 (CHEMBL567495 | trans-N-(5-(2-fluorophenyl)pyrimidi...) Show SMILES Fc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1 |r,wU:17.21,wD:14.14,(31.68,5.18,;31.69,3.64,;33.02,2.88,;33.03,1.33,;31.69,.56,;30.36,1.33,;30.36,2.87,;29.03,3.64,;27.69,2.87,;26.36,3.64,;26.37,5.18,;25.04,5.95,;23.7,5.18,;22.37,5.95,;23.7,3.64,;22.37,2.86,;22.37,1.32,;23.7,.56,;25.03,1.32,;25.03,2.86,;24.62,-.69,;23.72,-1.95,;24.2,-3.41,;22.24,-1.48,;20.9,-2.25,;19.56,-1.48,;19.57,.06,;20.9,.83,;22.23,.07,;27.69,5.95,;29.02,5.19,)| Show InChI InChI=1S/C23H19FN4O3/c24-19-4-2-1-3-16(19)15-11-26-22(27-12-15)28-20(29)14-5-8-23(9-6-14)18-7-10-25-13-17(18)21(30)31-23/h1-4,7,10-14H,5-6,8-9H2,(H,26,27,28,29)/t14-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of human NPY Y2 receptor				Bioorg Med Chem Lett 19: 5436-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.103 BindingDB Entry DOI: 10.7270/Q27D2V6Q
					More data for this Ligand-Target Pair