Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 529.6 BDBM50246646

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

Found 10 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 1 (Homo sapiens (Human))	BDBM50246646 ((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...) Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7| Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UR-MK114 from neuropeptide Y1 receptor in human SK-N-MC cells				J Med Chem 51: 8168-72 (2008) Article DOI: 10.1021/jm801018u BindingDB Entry DOI: 10.7270/Q2WM1D8T
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50246646 ((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...) Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7| Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to neuropeptide Y1 receptor in human MCF7 cells				J Med Chem 51: 8168-72 (2008) Article DOI: 10.1021/jm801018u BindingDB Entry DOI: 10.7270/Q2WM1D8T
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50246646 ((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...) Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7| Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of Dy-635-pNPY from human neuropeptide Y5 receptor expressed in HEC-1B cells by flow cytometric assay				J Med Chem 51: 8168-72 (2008) Article DOI: 10.1021/jm801018u BindingDB Entry DOI: 10.7270/Q2WM1D8T
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50246646 ((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...) Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7| Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of Dy-635-pNPY from human neuropeptide Y2 receptor expressed in CHO cells coexpressing Galphaqi5 and aequorin by flow cytometric assay				J Med Chem 51: 8168-72 (2008) Article DOI: 10.1021/jm801018u BindingDB Entry DOI: 10.7270/Q2WM1D8T
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50246646 ((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...) Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7| Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of Cy5-[K4]-hPP from human neuropeptide Y4 receptor expressed in CHO cells coexpressing Galphaqi5 and aequorin by flow cytometric assay				J Med Chem 51: 8168-72 (2008) Article DOI: 10.1021/jm801018u BindingDB Entry DOI: 10.7270/Q2WM1D8T
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50246646 ((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...) Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7| Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to neuropeptide Y1 receptor in human SK-N-MC cells by kinetic experiment				J Med Chem 51: 8168-72 (2008) Article DOI: 10.1021/jm801018u BindingDB Entry DOI: 10.7270/Q2WM1D8T
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50246646 ((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...) Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7| Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to neuropeptide Y1 receptor in human SK-N-MC cells				J Med Chem 51: 8168-72 (2008) Article DOI: 10.1021/jm801018u BindingDB Entry DOI: 10.7270/Q2WM1D8T
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50246646 ((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...) Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7| Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to neuropeptide Y1 receptor in human MCF7 cells				J Med Chem 51: 8168-72 (2008) Article DOI: 10.1021/jm801018u BindingDB Entry DOI: 10.7270/Q2WM1D8T
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50246646 ((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...) Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7| Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to neuropeptide Y1 receptor in human MCF7 cells by kinetic experiment				J Med Chem 51: 8168-72 (2008) Article DOI: 10.1021/jm801018u BindingDB Entry DOI: 10.7270/Q2WM1D8T
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50246646 ((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...) Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7| Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UR-MK114 from neuropeptide Y1 receptor in human SK-N-MC cells				J Med Chem 51: 8168-72 (2008) Article DOI: 10.1021/jm801018u BindingDB Entry DOI: 10.7270/Q2WM1D8T
					More data for this Ligand-Target Pair