Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1701.9 BDBM50442577

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

Found 4 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))	BDBM50442577 (CHEMBL2440915) Show SMILES NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r| Show InChI InChI=1S/C90H112N18O16/c91-41-50-108(51-44-94-79(111)69-29-33-71(34-30-69)81(113)96-46-53-121-57-59-123-55-48-100-89(119)106-87(92)98-42-13-23-75(83(115)102-61-63-25-37-73(109)38-26-63)104-85(117)77(65-15-5-1-6-16-65)66-17-7-2-8-18-66)52-45-95-80(112)70-31-35-72(36-32-70)82(114)97-47-54-122-58-60-124-56-49-101-90(120)107-88(93)99-43-14-24-76(84(116)103-62-64-27-39-74(110)40-28-64)105-86(118)78(67-19-9-3-10-20-67)68-21-11-4-12-22-68/h1-12,15-22,25-40,75-78,109-110H,13-14,23-24,41-62,91H2,(H,94,111)(H,95,112)(H,96,113)(H,97,114)(H,102,115)(H,103,116)(H,104,117)(H,105,118)(H4,92,98,100,106,119)(H4,93,99,101,107,120)/t75-,76-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	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 human neuropeptide Y receptor type 4 receptor expressed in CHO cells using Cy5-[K4]-hPP by flow cytometric analysis				Bioorg Med Chem 21: 6303-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.065 BindingDB Entry DOI: 10.7270/Q2J104MN
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50442577 (CHEMBL2440915) Show SMILES NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r| Show InChI InChI=1S/C90H112N18O16/c91-41-50-108(51-44-94-79(111)69-29-33-71(34-30-69)81(113)96-46-53-121-57-59-123-55-48-100-89(119)106-87(92)98-42-13-23-75(83(115)102-61-63-25-37-73(109)38-26-63)104-85(117)77(65-15-5-1-6-16-65)66-17-7-2-8-18-66)52-45-95-80(112)70-31-35-72(36-32-70)82(114)97-47-54-122-58-60-124-56-49-101-90(120)107-88(93)99-43-14-24-76(84(116)103-62-64-27-39-74(110)40-28-64)105-86(118)78(67-19-9-3-10-20-67)68-21-11-4-12-22-68/h1-12,15-22,25-40,75-78,109-110H,13-14,23-24,41-62,91H2,(H,94,111)(H,95,112)(H,96,113)(H,97,114)(H,102,115)(H,103,116)(H,104,117)(H,105,118)(H4,92,98,100,106,119)(H4,93,99,101,107,120)/t75-,76-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+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 Binding affinity to human neuropeptide Y receptor type 2 receptor expressed in CHO cells using Cy5-pNPY by flow cytometric analysis				Bioorg Med Chem 21: 6303-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.065 BindingDB Entry DOI: 10.7270/Q2J104MN
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50442577 (CHEMBL2440915) Show SMILES NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r| Show InChI InChI=1S/C90H112N18O16/c91-41-50-108(51-44-94-79(111)69-29-33-71(34-30-69)81(113)96-46-53-121-57-59-123-55-48-100-89(119)106-87(92)98-42-13-23-75(83(115)102-61-63-25-37-73(109)38-26-63)104-85(117)77(65-15-5-1-6-16-65)66-17-7-2-8-18-66)52-45-95-80(112)70-31-35-72(36-32-70)82(114)97-47-54-122-58-60-124-56-49-101-90(120)107-88(93)99-43-14-24-76(84(116)103-62-64-27-39-74(110)40-28-64)105-86(118)78(67-19-9-3-10-20-67)68-21-11-4-12-22-68/h1-12,15-22,25-40,75-78,109-110H,13-14,23-24,41-62,91H2,(H,94,111)(H,95,112)(H,96,113)(H,97,114)(H,102,115)(H,103,116)(H,104,117)(H,105,118)(H4,92,98,100,106,119)(H4,93,99,101,107,120)/t75-,76-/m0/s1	PDB Reactome pathway 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
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UR-MK114 from human neuropeptide Y receptor type 1 expressed in human SK-N-MC cells				Bioorg Med Chem 21: 6303-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.065 BindingDB Entry DOI: 10.7270/Q2J104MN
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50442577 (CHEMBL2440915) Show SMILES NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r| Show InChI InChI=1S/C90H112N18O16/c91-41-50-108(51-44-94-79(111)69-29-33-71(34-30-69)81(113)96-46-53-121-57-59-123-55-48-100-89(119)106-87(92)98-42-13-23-75(83(115)102-61-63-25-37-73(109)38-26-63)104-85(117)77(65-15-5-1-6-16-65)66-17-7-2-8-18-66)52-45-95-80(112)70-31-35-72(36-32-70)82(114)97-47-54-122-58-60-124-56-49-101-90(120)107-88(93)99-43-14-24-76(84(116)103-62-64-27-39-74(110)40-28-64)105-86(118)78(67-19-9-3-10-20-67)68-21-11-4-12-22-68/h1-12,15-22,25-40,75-78,109-110H,13-14,23-24,41-62,91H2,(H,94,111)(H,95,112)(H,96,113)(H,97,114)(H,102,115)(H,103,116)(H,104,117)(H,105,118)(H4,92,98,100,106,119)(H4,93,99,101,107,120)/t75-,76-/m0/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
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to human neuropeptide Y receptor type 5 receptor expressed in HEC-1B cells using Cy5-pNPY by flow cytometric analysis				Bioorg Med Chem 21: 6303-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.065 BindingDB Entry DOI: 10.7270/Q2J104MN
					More data for this Ligand-Target Pair