Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 4' and Ligand = 'BDBM50542843'   

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))	BDBM50542843 (CHEMBL4641659) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C42H67N15O9/c1-23(2)20-32(38(64)53-29(8-5-19-52-42(49)66)36(62)55-31(34(44)60)21-24-9-13-26(58)14-10-24)57-37(63)30(7-4-18-51-41(47)48)54-39(65)33(22-25-11-15-27(59)16-12-25)56-35(61)28(43)6-3-17-50-40(45)46/h9-16,23,28-33,58-59H,3-8,17-22,43H2,1-2H3,(H2,44,60)(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H4,45,46,50)(H4,47,48,51)(H3,49,52,66)/t28-,29-,30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	56	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))	BDBM50542843 (CHEMBL4641659) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C42H67N15O9/c1-23(2)20-32(38(64)53-29(8-5-19-52-42(49)66)36(62)55-31(34(44)60)21-24-9-13-26(58)14-10-24)57-37(63)30(7-4-18-51-41(47)48)54-39(65)33(22-25-11-15-27(59)16-12-25)56-35(61)28(43)6-3-17-50-40(45)46/h9-16,23,28-33,58-59H,3-8,17-22,43H2,1-2H3,(H2,44,60)(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H4,45,46,50)(H4,47,48,51)(H3,49,52,66)/t28-,29-,30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	56.2	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))	BDBM50542843 (CHEMBL4641659) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C42H67N15O9/c1-23(2)20-32(38(64)53-29(8-5-19-52-42(49)66)36(62)55-31(34(44)60)21-24-9-13-26(58)14-10-24)57-37(63)30(7-4-18-51-41(47)48)54-39(65)33(22-25-11-15-27(59)16-12-25)56-35(61)28(43)6-3-17-50-40(45)46/h9-16,23,28-33,58-59H,3-8,17-22,43H2,1-2H3,(H2,44,60)(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H4,45,46,50)(H4,47,48,51)(H3,49,52,66)/t28-,29-,30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	933	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))	BDBM50542843 (CHEMBL4641659) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C42H67N15O9/c1-23(2)20-32(38(64)53-29(8-5-19-52-42(49)66)36(62)55-31(34(44)60)21-24-9-13-26(58)14-10-24)57-37(63)30(7-4-18-51-41(47)48)54-39(65)33(22-25-11-15-27(59)16-12-25)56-35(61)28(43)6-3-17-50-40(45)46/h9-16,23,28-33,58-59H,3-8,17-22,43H2,1-2H3,(H2,44,60)(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H4,45,46,50)(H4,47,48,51)(H3,49,52,66)/t28-,29-,30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.07E+3	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))	BDBM50542843 (CHEMBL4641659) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C42H67N15O9/c1-23(2)20-32(38(64)53-29(8-5-19-52-42(49)66)36(62)55-31(34(44)60)21-24-9-13-26(58)14-10-24)57-37(63)30(7-4-18-51-41(47)48)54-39(65)33(22-25-11-15-27(59)16-12-25)56-35(61)28(43)6-3-17-50-40(45)46/h9-16,23,28-33,58-59H,3-8,17-22,43H2,1-2H3,(H2,44,60)(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H4,45,46,50)(H4,47,48,51)(H3,49,52,66)/t28-,29-,30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	930	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))	BDBM50542843 (CHEMBL4641659) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C42H67N15O9/c1-23(2)20-32(38(64)53-29(8-5-19-52-42(49)66)36(62)55-31(34(44)60)21-24-9-13-26(58)14-10-24)57-37(63)30(7-4-18-51-41(47)48)54-39(65)33(22-25-11-15-27(59)16-12-25)56-35(61)28(43)6-3-17-50-40(45)46/h9-16,23,28-33,58-59H,3-8,17-22,43H2,1-2H3,(H2,44,60)(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H4,45,46,50)(H4,47,48,51)(H3,49,52,66)/t28-,29-,30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.07E+3	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