Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 4' and Ligand = 'BDBM50542847'   

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))	BDBM50542847 (CHEMBL4637617) 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](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C46H72N16O11/c1-25(2)22-34(42(72)58-31(7-4-20-55-45(50)51)40(70)60-33(38(47)68)23-26-9-13-28(63)14-10-26)61-41(71)32(8-5-21-56-46(52)53)59-43(73)35(24-27-11-15-29(64)16-12-27)62-39(69)30(6-3-19-54-44(48)49)57-36(65)17-18-37(66)67/h9-16,25,30-35,63-64H,3-8,17-24H2,1-2H3,(H2,47,68)(H,57,65)(H,58,72)(H,59,73)(H,60,70)(H,61,71)(H,62,69)(H,66,67)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/t30-,31-,32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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]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))	BDBM50542847 (CHEMBL4637617) 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](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C46H72N16O11/c1-25(2)22-34(42(72)58-31(7-4-20-55-45(50)51)40(70)60-33(38(47)68)23-26-9-13-28(63)14-10-26)61-41(71)32(8-5-21-56-46(52)53)59-43(73)35(24-27-11-15-29(64)16-12-27)62-39(69)30(6-3-19-54-44(48)49)57-36(65)17-18-37(66)67/h9-16,25,30-35,63-64H,3-8,17-24H2,1-2H3,(H2,47,68)(H,57,65)(H,58,72)(H,59,73)(H,60,70)(H,61,71)(H,62,69)(H,66,67)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/t30-,31-,32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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]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))	BDBM50542847 (CHEMBL4637617) 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](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C46H72N16O11/c1-25(2)22-34(42(72)58-31(7-4-20-55-45(50)51)40(70)60-33(38(47)68)23-26-9-13-28(63)14-10-26)61-41(71)32(8-5-21-56-46(52)53)59-43(73)35(24-27-11-15-29(64)16-12-27)62-39(69)30(6-3-19-54-44(48)49)57-36(65)17-18-37(66)67/h9-16,25,30-35,63-64H,3-8,17-24H2,1-2H3,(H2,47,68)(H,57,65)(H,58,72)(H,59,73)(H,60,70)(H,61,71)(H,62,69)(H,66,67)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/t30-,31-,32-,33-,34-,35-/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	427	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))	BDBM50542847 (CHEMBL4637617) 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](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C46H72N16O11/c1-25(2)22-34(42(72)58-31(7-4-20-55-45(50)51)40(70)60-33(38(47)68)23-26-9-13-28(63)14-10-26)61-41(71)32(8-5-21-56-46(52)53)59-43(73)35(24-27-11-15-29(64)16-12-27)62-39(69)30(6-3-19-54-44(48)49)57-36(65)17-18-37(66)67/h9-16,25,30-35,63-64H,3-8,17-24H2,1-2H3,(H2,47,68)(H,57,65)(H,58,72)(H,59,73)(H,60,70)(H,61,71)(H,62,69)(H,66,67)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/t30-,31-,32-,33-,34-,35-/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	430	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))	BDBM50542847 (CHEMBL4637617) 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](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C46H72N16O11/c1-25(2)22-34(42(72)58-31(7-4-20-55-45(50)51)40(70)60-33(38(47)68)23-26-9-13-28(63)14-10-26)61-41(71)32(8-5-21-56-46(52)53)59-43(73)35(24-27-11-15-29(64)16-12-27)62-39(69)30(6-3-19-54-44(48)49)57-36(65)17-18-37(66)67/h9-16,25,30-35,63-64H,3-8,17-24H2,1-2H3,(H2,47,68)(H,57,65)(H,58,72)(H,59,73)(H,60,70)(H,61,71)(H,62,69)(H,66,67)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/t30-,31-,32-,33-,34-,35-/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	617	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))	BDBM50542847 (CHEMBL4637617) 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](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C46H72N16O11/c1-25(2)22-34(42(72)58-31(7-4-20-55-45(50)51)40(70)60-33(38(47)68)23-26-9-13-28(63)14-10-26)61-41(71)32(8-5-21-56-46(52)53)59-43(73)35(24-27-11-15-29(64)16-12-27)62-39(69)30(6-3-19-54-44(48)49)57-36(65)17-18-37(66)67/h9-16,25,30-35,63-64H,3-8,17-24H2,1-2H3,(H2,47,68)(H,57,65)(H,58,72)(H,59,73)(H,60,70)(H,61,71)(H,62,69)(H,66,67)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/t30-,31-,32-,33-,34-,35-/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	620	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))	BDBM50542847 (CHEMBL4637617) 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](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C46H72N16O11/c1-25(2)22-34(42(72)58-31(7-4-20-55-45(50)51)40(70)60-33(38(47)68)23-26-9-13-28(63)14-10-26)61-41(71)32(8-5-21-56-46(52)53)59-43(73)35(24-27-11-15-29(64)16-12-27)62-39(69)30(6-3-19-54-44(48)49)57-36(65)17-18-37(66)67/h9-16,25,30-35,63-64H,3-8,17-24H2,1-2H3,(H2,47,68)(H,57,65)(H,58,72)(H,59,73)(H,60,70)(H,61,71)(H,62,69)(H,66,67)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/t30-,31-,32-,33-,34-,35-/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	457	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))	BDBM50542847 (CHEMBL4637617) 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](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C46H72N16O11/c1-25(2)22-34(42(72)58-31(7-4-20-55-45(50)51)40(70)60-33(38(47)68)23-26-9-13-28(63)14-10-26)61-41(71)32(8-5-21-56-46(52)53)59-43(73)35(24-27-11-15-29(64)16-12-27)62-39(69)30(6-3-19-54-44(48)49)57-36(65)17-18-37(66)67/h9-16,25,30-35,63-64H,3-8,17-24H2,1-2H3,(H2,47,68)(H,57,65)(H,58,72)(H,59,73)(H,60,70)(H,61,71)(H,62,69)(H,66,67)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/t30-,31-,32-,33-,34-,35-/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	460	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