Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 4' and Ligand = 'BDBM50542837'   

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))	BDBM50542837 (CHEMBL4643522) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H60N16O8/c39-25(4-1-15-47-36(41)42)32(59)54-29(19-22-9-13-24(56)14-10-22)35(62)52-26(5-2-16-48-37(43)44)33(60)50-20-30(57)51-27(6-3-17-49-38(45)46)34(61)53-28(31(40)58)18-21-7-11-23(55)12-8-21/h7-14,25-29,55-56H,1-6,15-20,39H2,(H2,40,58)(H,50,60)(H,51,57)(H,52,62)(H,53,61)(H,54,59)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t25-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	186	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))	BDBM50542837 (CHEMBL4643522) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H60N16O8/c39-25(4-1-15-47-36(41)42)32(59)54-29(19-22-9-13-24(56)14-10-22)35(62)52-26(5-2-16-48-37(43)44)33(60)50-20-30(57)51-27(6-3-17-49-38(45)46)34(61)53-28(31(40)58)18-21-7-11-23(55)12-8-21/h7-14,25-29,55-56H,1-6,15-20,39H2,(H2,40,58)(H,50,60)(H,51,57)(H,52,62)(H,53,61)(H,54,59)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t25-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	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))	BDBM50542837 (CHEMBL4643522) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H60N16O8/c39-25(4-1-15-47-36(41)42)32(59)54-29(19-22-9-13-24(56)14-10-22)35(62)52-26(5-2-16-48-37(43)44)33(60)50-20-30(57)51-27(6-3-17-49-38(45)46)34(61)53-28(31(40)58)18-21-7-11-23(55)12-8-21/h7-14,25-29,55-56H,1-6,15-20,39H2,(H2,40,58)(H,50,60)(H,51,57)(H,52,62)(H,53,61)(H,54,59)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t25-,26-,27-,28-,29-/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	<3.16E+4	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB2 assessed as induction of beta-arrestin2 recruitment measured for 40 mins...				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))	BDBM50542837 (CHEMBL4643522) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H60N16O8/c39-25(4-1-15-47-36(41)42)32(59)54-29(19-22-9-13-24(56)14-10-22)35(62)52-26(5-2-16-48-37(43)44)33(60)50-20-30(57)51-27(6-3-17-49-38(45)46)34(61)53-28(31(40)58)18-21-7-11-23(55)12-8-21/h7-14,25-29,55-56H,1-6,15-20,39H2,(H2,40,58)(H,50,60)(H,51,57)(H,52,62)(H,53,61)(H,54,59)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t25-,26-,27-,28-,29-/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	>3.00E+4	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB2 assessed as induction of beta-arrestin2 recruitment measured for 40 mins...				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))	BDBM50542837 (CHEMBL4643522) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H60N16O8/c39-25(4-1-15-47-36(41)42)32(59)54-29(19-22-9-13-24(56)14-10-22)35(62)52-26(5-2-16-48-37(43)44)33(60)50-20-30(57)51-27(6-3-17-49-38(45)46)34(61)53-28(31(40)58)18-21-7-11-23(55)12-8-21/h7-14,25-29,55-56H,1-6,15-20,39H2,(H2,40,58)(H,50,60)(H,51,57)(H,52,62)(H,53,61)(H,54,59)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t25-,26-,27-,28-,29-/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	<3.16E+4	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as intracellular calcium mobilization measured for 43 ...				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))	BDBM50542837 (CHEMBL4643522) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H60N16O8/c39-25(4-1-15-47-36(41)42)32(59)54-29(19-22-9-13-24(56)14-10-22)35(62)52-26(5-2-16-48-37(43)44)33(60)50-20-30(57)51-27(6-3-17-49-38(45)46)34(61)53-28(31(40)58)18-21-7-11-23(55)12-8-21/h7-14,25-29,55-56H,1-6,15-20,39H2,(H2,40,58)(H,50,60)(H,51,57)(H,52,62)(H,53,61)(H,54,59)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t25-,26-,27-,28-,29-/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	>3.00E+4	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as intracellular calcium mobilization measured for 43 ...				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))	BDBM50542837 (CHEMBL4643522) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H60N16O8/c39-25(4-1-15-47-36(41)42)32(59)54-29(19-22-9-13-24(56)14-10-22)35(62)52-26(5-2-16-48-37(43)44)33(60)50-20-30(57)51-27(6-3-17-49-38(45)46)34(61)53-28(31(40)58)18-21-7-11-23(55)12-8-21/h7-14,25-29,55-56H,1-6,15-20,39H2,(H2,40,58)(H,50,60)(H,51,57)(H,52,62)(H,53,61)(H,54,59)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t25-,26-,27-,28-,29-/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	<3.16E+4	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB1 assessed as induction of beta-arrestin1 recruitment measured for 40 mins...				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))	BDBM50542837 (CHEMBL4643522) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H60N16O8/c39-25(4-1-15-47-36(41)42)32(59)54-29(19-22-9-13-24(56)14-10-22)35(62)52-26(5-2-16-48-37(43)44)33(60)50-20-30(57)51-27(6-3-17-49-38(45)46)34(61)53-28(31(40)58)18-21-7-11-23(55)12-8-21/h7-14,25-29,55-56H,1-6,15-20,39H2,(H2,40,58)(H,50,60)(H,51,57)(H,52,62)(H,53,61)(H,54,59)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t25-,26-,27-,28-,29-/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	>3.00E+4	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB1 assessed as induction of beta-arrestin1 recruitment measured for 40 mins...				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