Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1097.2 BDBM50542852

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

Found 8 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))	BDBM50542852 (CHEMBL4634913) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H72N18O10/c1-28(70)64-36(9-4-20-59-49(53)54)44(75)63-27-42(73)65-40(24-30-14-18-33(72)19-15-30)47(78)66-38(11-6-22-61-51(57)58)46(77)69-41(25-31-26-62-35-8-3-2-7-34(31)35)48(79)67-37(10-5-21-60-50(55)56)45(76)68-39(43(52)74)23-29-12-16-32(71)17-13-29/h2-3,7-8,12-19,26,36-41,62,71-72H,4-6,9-11,20-25,27H2,1H3,(H2,52,74)(H,63,75)(H,64,70)(H,65,73)(H,66,78)(H,67,79)(H,68,76)(H,69,77)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t36-,37-,38-,39-,40-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	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-KK200 from human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ measured after 90 mins by scintillation counting ...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542852 (CHEMBL4634913) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H72N18O10/c1-28(70)64-36(9-4-20-59-49(53)54)44(75)63-27-42(73)65-40(24-30-14-18-33(72)19-15-30)47(78)66-38(11-6-22-61-51(57)58)46(77)69-41(25-31-26-62-35-8-3-2-7-34(31)35)48(79)67-37(10-5-21-60-50(55)56)45(76)68-39(43(52)74)23-29-12-16-32(71)17-13-29/h2-3,7-8,12-19,26,36-41,62,71-72H,4-6,9-11,20-25,27H2,1H3,(H2,52,74)(H,63,75)(H,64,70)(H,65,73)(H,66,78)(H,67,79)(H,68,76)(H,69,77)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t36-,37-,38-,39-,40-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	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-KK200 from human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ measured after 90 mins by scintillation counting ...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50542852 (CHEMBL4634913) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H72N18O10/c1-28(70)64-36(9-4-20-59-49(53)54)44(75)63-27-42(73)65-40(24-30-14-18-33(72)19-15-30)47(78)66-38(11-6-22-61-51(57)58)46(77)69-41(25-31-26-62-35-8-3-2-7-34(31)35)48(79)67-37(10-5-21-60-50(55)56)45(76)68-39(43(52)74)23-29-12-16-32(71)17-13-29/h2-3,7-8,12-19,26,36-41,62,71-72H,4-6,9-11,20-25,27H2,1H3,(H2,52,74)(H,63,75)(H,64,70)(H,65,73)(H,66,78)(H,67,79)(H,68,76)(H,69,77)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t36-,37-,38-,39-,40-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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]UR-MK299 from Y1 receptor in human SK-N-MC cells				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50542852 (CHEMBL4634913) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H72N18O10/c1-28(70)64-36(9-4-20-59-49(53)54)44(75)63-27-42(73)65-40(24-30-14-18-33(72)19-15-30)47(78)66-38(11-6-22-61-51(57)58)46(77)69-41(25-31-26-62-35-8-3-2-7-34(31)35)48(79)67-37(10-5-21-60-50(55)56)45(76)68-39(43(52)74)23-29-12-16-32(71)17-13-29/h2-3,7-8,12-19,26,36-41,62,71-72H,4-6,9-11,20-25,27H2,1H3,(H2,52,74)(H,63,75)(H,64,70)(H,65,73)(H,66,78)(H,67,79)(H,68,76)(H,69,77)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t36-,37-,38-,39-,40-,41-/m0/s1	KEGG UniProtKB/SwissProt 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 Y5 receptor expressed in human HEC1B cells				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50542852 (CHEMBL4634913) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H72N18O10/c1-28(70)64-36(9-4-20-59-49(53)54)44(75)63-27-42(73)65-40(24-30-14-18-33(72)19-15-30)47(78)66-38(11-6-22-61-51(57)58)46(77)69-41(25-31-26-62-35-8-3-2-7-34(31)35)48(79)67-37(10-5-21-60-50(55)56)45(76)68-39(43(52)74)23-29-12-16-32(71)17-13-29/h2-3,7-8,12-19,26,36-41,62,71-72H,4-6,9-11,20-25,27H2,1H3,(H2,52,74)(H,63,75)(H,64,70)(H,65,73)(H,66,78)(H,67,79)(H,68,76)(H,69,77)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t36-,37-,38-,39-,40-,41-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<3.16E+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 Y5 receptor expressed in human HEC1B cells				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50542852 (CHEMBL4634913) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H72N18O10/c1-28(70)64-36(9-4-20-59-49(53)54)44(75)63-27-42(73)65-40(24-30-14-18-33(72)19-15-30)47(78)66-38(11-6-22-61-51(57)58)46(77)69-41(25-31-26-62-35-8-3-2-7-34(31)35)48(79)67-37(10-5-21-60-50(55)56)45(76)68-39(43(52)74)23-29-12-16-32(71)17-13-29/h2-3,7-8,12-19,26,36-41,62,71-72H,4-6,9-11,20-25,27H2,1H3,(H2,52,74)(H,63,75)(H,64,70)(H,65,73)(H,66,78)(H,67,79)(H,68,76)(H,69,77)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t36-,37-,38-,39-,40-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<3.16E+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-MK299 from Y1 receptor in human SK-N-MC cells				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50542852 (CHEMBL4634913) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H72N18O10/c1-28(70)64-36(9-4-20-59-49(53)54)44(75)63-27-42(73)65-40(24-30-14-18-33(72)19-15-30)47(78)66-38(11-6-22-61-51(57)58)46(77)69-41(25-31-26-62-35-8-3-2-7-34(31)35)48(79)67-37(10-5-21-60-50(55)56)45(76)68-39(43(52)74)23-29-12-16-32(71)17-13-29/h2-3,7-8,12-19,26,36-41,62,71-72H,4-6,9-11,20-25,27H2,1H3,(H2,52,74)(H,63,75)(H,64,70)(H,65,73)(H,66,78)(H,67,79)(H,68,76)(H,69,77)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t36-,37-,38-,39-,40-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	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 Y2 receptor expressed in CHO cells measured after 2 hrs by microbeta liquid scintillation counting anal...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50542852 (CHEMBL4634913) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H72N18O10/c1-28(70)64-36(9-4-20-59-49(53)54)44(75)63-27-42(73)65-40(24-30-14-18-33(72)19-15-30)47(78)66-38(11-6-22-61-51(57)58)46(77)69-41(25-31-26-62-35-8-3-2-7-34(31)35)48(79)67-37(10-5-21-60-50(55)56)45(76)68-39(43(52)74)23-29-12-16-32(71)17-13-29/h2-3,7-8,12-19,26,36-41,62,71-72H,4-6,9-11,20-25,27H2,1H3,(H2,52,74)(H,63,75)(H,64,70)(H,65,73)(H,66,78)(H,67,79)(H,68,76)(H,69,77)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t36-,37-,38-,39-,40-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	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 Y2 receptor expressed in CHO cells measured after 2 hrs by microbeta liquid scintillation counting anal...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair