Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 918.1 BDBM50343729

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

Found 8 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))	BDBM50343729 (1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,36.40| Show InChI InChI=1S/C55H64N8O5/c1-38-33-41(22-23-42-35-45-17-11-30-62-31-12-18-46(36-42)52(45)62)34-39(2)63(38)32-29-57-49(65)20-9-21-50(66)61-55(56)58-28-10-19-48(53(67)59-37-40-24-26-47(64)27-25-40)60-54(68)51(43-13-5-3-6-14-43)44-15-7-4-8-16-44/h3-8,13-16,22-27,33-36,48,51H,9-12,17-21,28-32,37H2,1-2H3,(H6-,56,57,58,59,60,61,64,65,66,67,68)/p+1/t48-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-UR-MK114 from Y1R in human SK-N-MC cells				Bioorg Med Chem 19: 2859-78 (2011) Article DOI: 10.1016/j.bmc.2011.03.045 BindingDB Entry DOI: 10.7270/Q2F47PG7
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50343729 (1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,36.40| Show InChI InChI=1S/C55H64N8O5/c1-38-33-41(22-23-42-35-45-17-11-30-62-31-12-18-46(36-42)52(45)62)34-39(2)63(38)32-29-57-49(65)20-9-21-50(66)61-55(56)58-28-10-19-48(53(67)59-37-40-24-26-47(64)27-25-40)60-54(68)51(43-13-5-3-6-14-43)44-15-7-4-8-16-44/h3-8,13-16,22-27,33-36,48,51H,9-12,17-21,28-32,37H2,1-2H3,(H6-,56,57,58,59,60,61,64,65,66,67,68)/p+1/t48-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-UR-MK114 from Y1R in human SK-N-MC cells by flowcytometry				Bioorg Med Chem 19: 2859-78 (2011) Article DOI: 10.1016/j.bmc.2011.03.045 BindingDB Entry DOI: 10.7270/Q2F47PG7
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50343729 (1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,36.40| Show InChI InChI=1S/C55H64N8O5/c1-38-33-41(22-23-42-35-45-17-11-30-62-31-12-18-46(36-42)52(45)62)34-39(2)63(38)32-29-57-49(65)20-9-21-50(66)61-55(56)58-28-10-19-48(53(67)59-37-40-24-26-47(64)27-25-40)60-54(68)51(43-13-5-3-6-14-43)44-15-7-4-8-16-44/h3-8,13-16,22-27,33-36,48,51H,9-12,17-21,28-32,37H2,1-2H3,(H6-,56,57,58,59,60,61,64,65,66,67,68)/p+1/t48-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Displacement of Dy-635-pNPY from human Y2R expressed in CHO cells by flowcytometry				Bioorg Med Chem 19: 2859-78 (2011) Article DOI: 10.1016/j.bmc.2011.03.045 BindingDB Entry DOI: 10.7270/Q2F47PG7
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50343729 (1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,36.40| Show InChI InChI=1S/C55H64N8O5/c1-38-33-41(22-23-42-35-45-17-11-30-62-31-12-18-46(36-42)52(45)62)34-39(2)63(38)32-29-57-49(65)20-9-21-50(66)61-55(56)58-28-10-19-48(53(67)59-37-40-24-26-47(64)27-25-40)60-54(68)51(43-13-5-3-6-14-43)44-15-7-4-8-16-44/h3-8,13-16,22-27,33-36,48,51H,9-12,17-21,28-32,37H2,1-2H3,(H6-,56,57,58,59,60,61,64,65,66,67,68)/p+1/t48-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Displacement of Cy5-[K4]-hpp from human Y4R expressed in CHO cells by flowcytometry				Bioorg Med Chem 19: 2859-78 (2011) Article DOI: 10.1016/j.bmc.2011.03.045 BindingDB Entry DOI: 10.7270/Q2F47PG7
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50343729 (1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,36.40| Show InChI InChI=1S/C55H64N8O5/c1-38-33-41(22-23-42-35-45-17-11-30-62-31-12-18-46(36-42)52(45)62)34-39(2)63(38)32-29-57-49(65)20-9-21-50(66)61-55(56)58-28-10-19-48(53(67)59-37-40-24-26-47(64)27-25-40)60-54(68)51(43-13-5-3-6-14-43)44-15-7-4-8-16-44/h3-8,13-16,22-27,33-36,48,51H,9-12,17-21,28-32,37H2,1-2H3,(H6-,56,57,58,59,60,61,64,65,66,67,68)/p+1/t48-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Displacement of Dy-635-pNPY from human Y5R expressed in CHO cells by flowcytometry				Bioorg Med Chem 19: 2859-78 (2011) Article DOI: 10.1016/j.bmc.2011.03.045 BindingDB Entry DOI: 10.7270/Q2F47PG7
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50343729 (1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,36.40| Show InChI InChI=1S/C55H64N8O5/c1-38-33-41(22-23-42-35-45-17-11-30-62-31-12-18-46(36-42)52(45)62)34-39(2)63(38)32-29-57-49(65)20-9-21-50(66)61-55(56)58-28-10-19-48(53(67)59-37-40-24-26-47(64)27-25-40)60-54(68)51(43-13-5-3-6-14-43)44-15-7-4-8-16-44/h3-8,13-16,22-27,33-36,48,51H,9-12,17-21,28-32,37H2,1-2H3,(H6-,56,57,58,59,60,61,64,65,66,67,68)/p+1/t48-/m1/s1	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
Universit£t Regensburg Curated by ChEMBL					Assay Description Displacement of Dy-635-pNPY from human Y2R expressed in CHO cells by flowcytometry				Bioorg Med Chem 19: 2859-78 (2011) Article DOI: 10.1016/j.bmc.2011.03.045 BindingDB Entry DOI: 10.7270/Q2F47PG7
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50343729 (1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,36.40| Show InChI InChI=1S/C55H64N8O5/c1-38-33-41(22-23-42-35-45-17-11-30-62-31-12-18-46(36-42)52(45)62)34-39(2)63(38)32-29-57-49(65)20-9-21-50(66)61-55(56)58-28-10-19-48(53(67)59-37-40-24-26-47(64)27-25-40)60-54(68)51(43-13-5-3-6-14-43)44-15-7-4-8-16-44/h3-8,13-16,22-27,33-36,48,51H,9-12,17-21,28-32,37H2,1-2H3,(H6-,56,57,58,59,60,61,64,65,66,67,68)/p+1/t48-/m1/s1	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
Universit£t Regensburg Curated by ChEMBL					Assay Description Displacement of Cy5-[K4]-hpp from human Y4R expressed in CHO cells by flowcytometry				Bioorg Med Chem 19: 2859-78 (2011) Article DOI: 10.1016/j.bmc.2011.03.045 BindingDB Entry DOI: 10.7270/Q2F47PG7
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50343729 (1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,36.40| Show InChI InChI=1S/C55H64N8O5/c1-38-33-41(22-23-42-35-45-17-11-30-62-31-12-18-46(36-42)52(45)62)34-39(2)63(38)32-29-57-49(65)20-9-21-50(66)61-55(56)58-28-10-19-48(53(67)59-37-40-24-26-47(64)27-25-40)60-54(68)51(43-13-5-3-6-14-43)44-15-7-4-8-16-44/h3-8,13-16,22-27,33-36,48,51H,9-12,17-21,28-32,37H2,1-2H3,(H6-,56,57,58,59,60,61,64,65,66,67,68)/p+1/t48-/m1/s1	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
Universit£t Regensburg Curated by ChEMBL					Assay Description Displacement of Dy-635-pNPY from human Y5R expressed in CHO cells by flowcytometry				Bioorg Med Chem 19: 2859-78 (2011) Article DOI: 10.1016/j.bmc.2011.03.045 BindingDB Entry DOI: 10.7270/Q2F47PG7
					More data for this Ligand-Target Pair