Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1285.5 BDBM50442559

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 1 (Homo sapiens (Human))	BDBM50442559 (CHEMBL2440924) Show SMILES NCCN(CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:17.17,62.65| Show InChI InChI=1S/C70H88N14O10/c71-39-44-84(45-42-74-59(87)27-13-29-61(89)82-69(72)76-40-15-25-57(65(91)78-47-49-31-35-55(85)36-32-49)80-67(93)63(51-17-5-1-6-18-51)52-19-7-2-8-20-52)46-43-75-60(88)28-14-30-62(90)83-70(73)77-41-16-26-58(66(92)79-48-50-33-37-56(86)38-34-50)81-68(94)64(53-21-9-3-10-22-53)54-23-11-4-12-24-54/h1-12,17-24,31-38,57-58,63-64,85-86H,13-16,25-30,39-48,71H2,(H,74,87)(H,75,88)(H,78,91)(H,79,92)(H,80,93)(H,81,94)(H3,72,76,82,89)(H3,73,77,83,90)/t57-,58-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	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 4 (Homo sapiens (Human))	BDBM50442559 (CHEMBL2440924) Show SMILES NCCN(CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:17.17,62.65| Show InChI InChI=1S/C70H88N14O10/c71-39-44-84(45-42-74-59(87)27-13-29-61(89)82-69(72)76-40-15-25-57(65(91)78-47-49-31-35-55(85)36-32-49)80-67(93)63(51-17-5-1-6-18-51)52-19-7-2-8-20-52)46-43-75-60(88)28-14-30-62(90)83-70(73)77-41-16-26-58(66(92)79-48-50-33-37-56(86)38-34-50)81-68(94)64(53-21-9-3-10-22-53)54-23-11-4-12-24-54/h1-12,17-24,31-38,57-58,63-64,85-86H,13-16,25-30,39-48,71H2,(H,74,87)(H,75,88)(H,78,91)(H,79,92)(H,80,93)(H,81,94)(H3,72,76,82,89)(H3,73,77,83,90)/t57-,58-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	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))	BDBM50442559 (CHEMBL2440924) Show SMILES NCCN(CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:17.17,62.65| Show InChI InChI=1S/C70H88N14O10/c71-39-44-84(45-42-74-59(87)27-13-29-61(89)82-69(72)76-40-15-25-57(65(91)78-47-49-31-35-55(85)36-32-49)80-67(93)63(51-17-5-1-6-18-51)52-19-7-2-8-20-52)46-43-75-60(88)28-14-30-62(90)83-70(73)77-41-16-26-58(66(92)79-48-50-33-37-56(86)38-34-50)81-68(94)64(53-21-9-3-10-22-53)54-23-11-4-12-24-54/h1-12,17-24,31-38,57-58,63-64,85-86H,13-16,25-30,39-48,71H2,(H,74,87)(H,75,88)(H,78,91)(H,79,92)(H,80,93)(H,81,94)(H3,72,76,82,89)(H3,73,77,83,90)/t57-,58-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	620	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 5 (Homo sapiens (Human))	BDBM50442559 (CHEMBL2440924) Show SMILES NCCN(CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:17.17,62.65| Show InChI InChI=1S/C70H88N14O10/c71-39-44-84(45-42-74-59(87)27-13-29-61(89)82-69(72)76-40-15-25-57(65(91)78-47-49-31-35-55(85)36-32-49)80-67(93)63(51-17-5-1-6-18-51)52-19-7-2-8-20-52)46-43-75-60(88)28-14-30-62(90)83-70(73)77-41-16-26-58(66(92)79-48-50-33-37-56(86)38-34-50)81-68(94)64(53-21-9-3-10-22-53)54-23-11-4-12-24-54/h1-12,17-24,31-38,57-58,63-64,85-86H,13-16,25-30,39-48,71H2,(H,74,87)(H,75,88)(H,78,91)(H,79,92)(H,80,93)(H,81,94)(H3,72,76,82,89)(H3,73,77,83,90)/t57-,58-/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
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