Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1590.8 BDBM50535852

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

Found 6 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 4 (Homo sapiens (Human))	BDBM50535852 (CHEMBL4533775) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C77H115N21O16/c1-43(2)37-59(71(111)89-45(5)67(107)95-57(65(78)105)39-46-18-26-50(99)27-19-46)97-69(109)55(14-11-35-87-76(82)83)93-73(113)61(41-48-22-30-52(101)31-23-48)90-63(103)16-8-6-7-9-17-64(104)91-62(42-49-24-32-53(102)33-25-49)74(114)94-56(15-12-36-88-77(84)85)70(110)98-60(38-44(3)4)72(112)92-54(13-10-34-86-75(80)81)68(108)96-58(66(79)106)40-47-20-28-51(100)29-21-47/h18-33,43-45,54-62,99-102H,6-17,34-42H2,1-5H3,(H2,78,105)(H2,79,106)(H,89,111)(H,90,103)(H,91,104)(H,92,112)(H,93,113)(H,94,114)(H,95,107)(H,96,108)(H,97,109)(H,98,110)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	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](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...				J Med Chem 59: 6045-58 (2016) Article DOI: 10.1021/acs.jmedchem.6b00309 BindingDB Entry DOI: 10.7270/Q25T3Q08
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50535852 (CHEMBL4533775) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C77H115N21O16/c1-43(2)37-59(71(111)89-45(5)67(107)95-57(65(78)105)39-46-18-26-50(99)27-19-46)97-69(109)55(14-11-35-87-76(82)83)93-73(113)61(41-48-22-30-52(101)31-23-48)90-63(103)16-8-6-7-9-17-64(104)91-62(42-49-24-32-53(102)33-25-49)74(114)94-56(15-12-36-88-77(84)85)70(110)98-60(38-44(3)4)72(112)92-54(13-10-34-86-75(80)81)68(108)96-58(66(79)106)40-47-20-28-51(100)29-21-47/h18-33,43-45,54-62,99-102H,6-17,34-42H2,1-5H3,(H2,78,105)(H2,79,106)(H,89,111)(H,90,103)(H,91,104)(H,92,112)(H,93,113)(H,94,114)(H,95,107)(H,96,108)(H,97,109)(H,98,110)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	460	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]propionyl-pNPY from human NPY Y5 receptor expressed in human HEC1b cells after 120 mins by liquid scintillation counting				J Med Chem 59: 6045-58 (2016) Article DOI: 10.1021/acs.jmedchem.6b00309 BindingDB Entry DOI: 10.7270/Q25T3Q08
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50535852 (CHEMBL4533775) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C77H115N21O16/c1-43(2)37-59(71(111)89-45(5)67(107)95-57(65(78)105)39-46-18-26-50(99)27-19-46)97-69(109)55(14-11-35-87-76(82)83)93-73(113)61(41-48-22-30-52(101)31-23-48)90-63(103)16-8-6-7-9-17-64(104)91-62(42-49-24-32-53(102)33-25-49)74(114)94-56(15-12-36-88-77(84)85)70(110)98-60(38-44(3)4)72(112)92-54(13-10-34-86-75(80)81)68(108)96-58(66(79)106)40-47-20-28-51(100)29-21-47/h18-33,43-45,54-62,99-102H,6-17,34-42H2,1-5H3,(H2,78,105)(H2,79,106)(H,89,111)(H,90,103)(H,91,104)(H,92,112)(H,93,113)(H,94,114)(H,95,107)(H,96,108)(H,97,109)(H,98,110)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+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 [3H]UR-MK136 from human NPY Y1 receptor expressed in human MCF7 cells by liquid scintillation counting				J Med Chem 59: 6045-58 (2016) Article DOI: 10.1021/acs.jmedchem.6b00309 BindingDB Entry DOI: 10.7270/Q25T3Q08
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50535852 (CHEMBL4533775) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C77H115N21O16/c1-43(2)37-59(71(111)89-45(5)67(107)95-57(65(78)105)39-46-18-26-50(99)27-19-46)97-69(109)55(14-11-35-87-76(82)83)93-73(113)61(41-48-22-30-52(101)31-23-48)90-63(103)16-8-6-7-9-17-64(104)91-62(42-49-24-32-53(102)33-25-49)74(114)94-56(15-12-36-88-77(84)85)70(110)98-60(38-44(3)4)72(112)92-54(13-10-34-86-75(80)81)68(108)96-58(66(79)106)40-47-20-28-51(100)29-21-47/h18-33,43-45,54-62,99-102H,6-17,34-42H2,1-5H3,(H2,78,105)(H2,79,106)(H,89,111)(H,90,103)(H,91,104)(H,92,112)(H,93,113)(H,94,114)(H,95,107)(H,96,108)(H,97,109)(H,98,110)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+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 [3H]propionyl-pNPY from human NPY Y2 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins by liquid scintillation c...				J Med Chem 59: 6045-58 (2016) Article DOI: 10.1021/acs.jmedchem.6b00309 BindingDB Entry DOI: 10.7270/Q25T3Q08
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50535852 (CHEMBL4533775) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C77H115N21O16/c1-43(2)37-59(71(111)89-45(5)67(107)95-57(65(78)105)39-46-18-26-50(99)27-19-46)97-69(109)55(14-11-35-87-76(82)83)93-73(113)61(41-48-22-30-52(101)31-23-48)90-63(103)16-8-6-7-9-17-64(104)91-62(42-49-24-32-53(102)33-25-49)74(114)94-56(15-12-36-88-77(84)85)70(110)98-60(38-44(3)4)72(112)92-54(13-10-34-86-75(80)81)68(108)96-58(66(79)106)40-47-20-28-51(100)29-21-47/h18-33,43-45,54-62,99-102H,6-17,34-42H2,1-5H3,(H2,78,105)(H2,79,106)(H,89,111)(H,90,103)(H,91,104)(H,92,112)(H,93,113)(H,94,114)(H,95,107)(H,96,108)(H,97,109)(H,98,110)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as induction of calcium mobilization by aequorin l...				J Med Chem 59: 6045-58 (2016) Article DOI: 10.1021/acs.jmedchem.6b00309 BindingDB Entry DOI: 10.7270/Q25T3Q08
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50535852 (CHEMBL4533775) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C77H115N21O16/c1-43(2)37-59(71(111)89-45(5)67(107)95-57(65(78)105)39-46-18-26-50(99)27-19-46)97-69(109)55(14-11-35-87-76(82)83)93-73(113)61(41-48-22-30-52(101)31-23-48)90-63(103)16-8-6-7-9-17-64(104)91-62(42-49-24-32-53(102)33-25-49)74(114)94-56(15-12-36-88-77(84)85)70(110)98-60(38-44(3)4)72(112)92-54(13-10-34-86-75(80)81)68(108)96-58(66(79)106)40-47-20-28-51(100)29-21-47/h18-33,43-45,54-62,99-102H,6-17,34-42H2,1-5H3,(H2,78,105)(H2,79,106)(H,89,111)(H,90,103)(H,91,104)(H,92,112)(H,93,113)(H,94,114)(H,95,107)(H,96,108)(H,97,109)(H,98,110)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human NPY Y4 receptor expressed in HEK293 cells co-expressing CRE-Luc gene assessed as inhibition of forskolin stimulated lucifer...				J Med Chem 59: 6045-58 (2016) Article DOI: 10.1021/acs.jmedchem.6b00309 BindingDB Entry DOI: 10.7270/Q25T3Q08
					More data for this Ligand-Target Pair