BDBM50542848 CHEMBL4642752

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=JCRVCNMDDFQPJX-IRGGMKSGSA-N

Data: 8 KI  6 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50542848   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	14	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	17	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Y2 receptor expressed in CHO cells measured after 2 hrs by microbeta liquid scintillation counting anal...				J Med Chem 63: 8198-8215 (2020)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Y2 receptor expressed in CHO cells measured after 2 hrs by microbeta liquid scintillation counting anal...				J Med Chem 63: 8198-8215 (2020)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Y5 receptor expressed in human HEC1B cells				J Med Chem 63: 8198-8215 (2020)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Y5 receptor expressed in human HEC1B cells				J Med Chem 63: 8198-8215 (2020)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	603	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	600	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	513	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	510	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.51E+3	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542848 (CHEMBL4642752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.50E+3	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)
					More data for this Ligand-Target Pair