Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1681.9 BDBM50441966

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

Found 5 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))	BDBM50441966 (CHEMBL2440191) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C76H120N28O16/c1-6-39(4)60(104-71(119)56(33-42-17-21-45(107)22-18-42)101-69(117)57(34-43-36-87-37-92-43)102-64(112)50(93-40(5)105)11-7-27-88-73(79)80)72(120)103-58(35-59(77)108)70(118)100-55(31-38(2)3)68(116)98-53(14-10-30-91-76(85)86)66(114)95-49-26-24-47(49)62(110)96-51(12-8-28-89-74(81)82)65(113)94-48-25-23-46(48)63(111)97-52(13-9-29-90-75(83)84)67(115)99-54(61(78)109)32-41-15-19-44(106)20-16-41/h15-22,36-39,46-58,60,106-107H,6-14,23-35H2,1-5H3,(H2,77,108)(H2,78,109)(H,87,92)(H,93,105)(H,94,113)(H,95,114)(H,96,110)(H,97,111)(H,98,116)(H,99,115)(H,100,118)(H,101,117)(H,102,112)(H,103,120)(H,104,119)(H4,79,80,88)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)/t39-,46+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,60-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	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 Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50441966 (CHEMBL2440191) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C76H120N28O16/c1-6-39(4)60(104-71(119)56(33-42-17-21-45(107)22-18-42)101-69(117)57(34-43-36-87-37-92-43)102-64(112)50(93-40(5)105)11-7-27-88-73(79)80)72(120)103-58(35-59(77)108)70(118)100-55(31-38(2)3)68(116)98-53(14-10-30-91-76(85)86)66(114)95-49-26-24-47(49)62(110)96-51(12-8-28-89-74(81)82)65(113)94-48-25-23-46(48)63(111)97-52(13-9-29-90-75(83)84)67(115)99-54(61(78)109)32-41-15-19-44(106)20-16-41/h15-22,36-39,46-58,60,106-107H,6-14,23-35H2,1-5H3,(H2,77,108)(H2,78,109)(H,87,92)(H,93,105)(H,94,113)(H,95,114)(H,96,110)(H,97,111)(H,98,116)(H,99,115)(H,100,118)(H,101,117)(H,102,112)(H,103,120)(H,104,119)(H4,79,80,88)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)/t39-,46+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,60-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 Cy5-pNPY from human Y2 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50441966 (CHEMBL2440191) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C76H120N28O16/c1-6-39(4)60(104-71(119)56(33-42-17-21-45(107)22-18-42)101-69(117)57(34-43-36-87-37-92-43)102-64(112)50(93-40(5)105)11-7-27-88-73(79)80)72(120)103-58(35-59(77)108)70(118)100-55(31-38(2)3)68(116)98-53(14-10-30-91-76(85)86)66(114)95-49-26-24-47(49)62(110)96-51(12-8-28-89-74(81)82)65(113)94-48-25-23-46(48)63(111)97-52(13-9-29-90-75(83)84)67(115)99-54(61(78)109)32-41-15-19-44(106)20-16-41/h15-22,36-39,46-58,60,106-107H,6-14,23-35H2,1-5H3,(H2,77,108)(H2,78,109)(H,87,92)(H,93,105)(H,94,113)(H,95,114)(H,96,110)(H,97,111)(H,98,116)(H,99,115)(H,100,118)(H,101,117)(H,102,112)(H,103,120)(H,104,119)(H4,79,80,88)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)/t39-,46+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,60-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50441966 (CHEMBL2440191) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C76H120N28O16/c1-6-39(4)60(104-71(119)56(33-42-17-21-45(107)22-18-42)101-69(117)57(34-43-36-87-37-92-43)102-64(112)50(93-40(5)105)11-7-27-88-73(79)80)72(120)103-58(35-59(77)108)70(118)100-55(31-38(2)3)68(116)98-53(14-10-30-91-76(85)86)66(114)95-49-26-24-47(49)62(110)96-51(12-8-28-89-74(81)82)65(113)94-48-25-23-46(48)63(111)97-52(13-9-29-90-75(83)84)67(115)99-54(61(78)109)32-41-15-19-44(106)20-16-41/h15-22,36-39,46-58,60,106-107H,6-14,23-35H2,1-5H3,(H2,77,108)(H2,78,109)(H,87,92)(H,93,105)(H,94,113)(H,95,114)(H,96,110)(H,97,111)(H,98,116)(H,99,115)(H,100,118)(H,101,117)(H,102,112)(H,103,120)(H,104,119)(H4,79,80,88)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)/t39-,46+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,60-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50441966 (CHEMBL2440191) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C76H120N28O16/c1-6-39(4)60(104-71(119)56(33-42-17-21-45(107)22-18-42)101-69(117)57(34-43-36-87-37-92-43)102-64(112)50(93-40(5)105)11-7-27-88-73(79)80)72(120)103-58(35-59(77)108)70(118)100-55(31-38(2)3)68(116)98-53(14-10-30-91-76(85)86)66(114)95-49-26-24-47(49)62(110)96-51(12-8-28-89-74(81)82)65(113)94-48-25-23-46(48)63(111)97-52(13-9-29-90-75(83)84)67(115)99-54(61(78)109)32-41-15-19-44(106)20-16-41/h15-22,36-39,46-58,60,106-107H,6-14,23-35H2,1-5H3,(H2,77,108)(H2,78,109)(H,87,92)(H,93,105)(H,94,113)(H,95,114)(H,96,110)(H,97,111)(H,98,116)(H,99,115)(H,100,118)(H,101,117)(H,102,112)(H,103,120)(H,104,119)(H4,79,80,88)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)/t39-,46+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,60-/m0/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	n/a	66	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4 receptor expressed in sf9 cells assessed as hydrolysis of [gamma-33P]GTP after 2 mins by scintillation counting analysis				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair