Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 963.2 BDBM50343728

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

Found 9 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))	BDBM50343728 (3-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10| Show InChI InChI=1S/C55H63N9O5S/c1-63(2)44-31-27-40(28-32-44)17-9-12-26-50-64(47-23-10-11-24-48(47)70-50)38-16-25-49(66)57-35-13-14-36-59-55(69)62-54(56)58-37-15-22-46(52(67)60-39-41-29-33-45(65)34-30-41)61-53(68)51(42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-12,17-21,23-24,26-34,46,51H,13-16,22,25,35-39H2,1-2H3,(H7-,56,57,58,59,60,61,62,65,66,67,68,69)/p+1/t46-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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))	BDBM50343728 (3-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10| Show InChI InChI=1S/C55H63N9O5S/c1-63(2)44-31-27-40(28-32-44)17-9-12-26-50-64(47-23-10-11-24-48(47)70-50)38-16-25-49(66)57-35-13-14-36-59-55(69)62-54(56)58-37-15-22-46(52(67)60-39-41-29-33-45(65)34-30-41)61-53(68)51(42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-12,17-21,23-24,26-34,46,51H,13-16,22,25,35-39H2,1-2H3,(H7-,56,57,58,59,60,61,62,65,66,67,68,69)/p+1/t46-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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 5 (Homo sapiens (Human))	BDBM50343728 (3-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10| Show InChI InChI=1S/C55H63N9O5S/c1-63(2)44-31-27-40(28-32-44)17-9-12-26-50-64(47-23-10-11-24-48(47)70-50)38-16-25-49(66)57-35-13-14-36-59-55(69)62-54(56)58-37-15-22-46(52(67)60-39-41-29-33-45(65)34-30-41)61-53(68)51(42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-12,17-21,23-24,26-34,46,51H,13-16,22,25,35-39H2,1-2H3,(H7-,56,57,58,59,60,61,62,65,66,67,68,69)/p+1/t46-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>400	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 4 (Homo sapiens (Human))	BDBM50343728 (3-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10| Show InChI InChI=1S/C55H63N9O5S/c1-63(2)44-31-27-40(28-32-44)17-9-12-26-50-64(47-23-10-11-24-48(47)70-50)38-16-25-49(66)57-35-13-14-36-59-55(69)62-54(56)58-37-15-22-46(52(67)60-39-41-29-33-45(65)34-30-41)61-53(68)51(42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-12,17-21,23-24,26-34,46,51H,13-16,22,25,35-39H2,1-2H3,(H7-,56,57,58,59,60,61,62,65,66,67,68,69)/p+1/t46-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	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 2 (Homo sapiens (Human))	BDBM50343728 (3-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10| Show InChI InChI=1S/C55H63N9O5S/c1-63(2)44-31-27-40(28-32-44)17-9-12-26-50-64(47-23-10-11-24-48(47)70-50)38-16-25-49(66)57-35-13-14-36-59-55(69)62-54(56)58-37-15-22-46(52(67)60-39-41-29-33-45(65)34-30-41)61-53(68)51(42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-12,17-21,23-24,26-34,46,51H,13-16,22,25,35-39H2,1-2H3,(H7-,56,57,58,59,60,61,62,65,66,67,68,69)/p+1/t46-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	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))	BDBM50343728 (3-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10| Show InChI InChI=1S/C55H63N9O5S/c1-63(2)44-31-27-40(28-32-44)17-9-12-26-50-64(47-23-10-11-24-48(47)70-50)38-16-25-49(66)57-35-13-14-36-59-55(69)62-54(56)58-37-15-22-46(52(67)60-39-41-29-33-45(65)34-30-41)61-53(68)51(42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-12,17-21,23-24,26-34,46,51H,13-16,22,25,35-39H2,1-2H3,(H7-,56,57,58,59,60,61,62,65,66,67,68,69)/p+1/t46-/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+3	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))	BDBM50343728 (3-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10| Show InChI InChI=1S/C55H63N9O5S/c1-63(2)44-31-27-40(28-32-44)17-9-12-26-50-64(47-23-10-11-24-48(47)70-50)38-16-25-49(66)57-35-13-14-36-59-55(69)62-54(56)58-37-15-22-46(52(67)60-39-41-29-33-45(65)34-30-41)61-53(68)51(42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-12,17-21,23-24,26-34,46,51H,13-16,22,25,35-39H2,1-2H3,(H7-,56,57,58,59,60,61,62,65,66,67,68,69)/p+1/t46-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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))	BDBM50343728 (3-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10| Show InChI InChI=1S/C55H63N9O5S/c1-63(2)44-31-27-40(28-32-44)17-9-12-26-50-64(47-23-10-11-24-48(47)70-50)38-16-25-49(66)57-35-13-14-36-59-55(69)62-54(56)58-37-15-22-46(52(67)60-39-41-29-33-45(65)34-30-41)61-53(68)51(42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-12,17-21,23-24,26-34,46,51H,13-16,22,25,35-39H2,1-2H3,(H7-,56,57,58,59,60,61,62,65,66,67,68,69)/p+1/t46-/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+3	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 1 (Homo sapiens (Human))	BDBM50343728 (3-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydr...) Show SMILES CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10| Show InChI InChI=1S/C55H63N9O5S/c1-63(2)44-31-27-40(28-32-44)17-9-12-26-50-64(47-23-10-11-24-48(47)70-50)38-16-25-49(66)57-35-13-14-36-59-55(69)62-54(56)58-37-15-22-46(52(67)60-39-41-29-33-45(65)34-30-41)61-53(68)51(42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-12,17-21,23-24,26-34,46,51H,13-16,22,25,35-39H2,1-2H3,(H7-,56,57,58,59,60,61,62,65,66,67,68,69)/p+1/t46-/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	5	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Binding affinity at Y1R in human MCF-7 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