BDBM50542842 CHEMBL4640794

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

Data: 2 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 8 hits for monomerid = 50542842   

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))	BDBM50542842 (CHEMBL4640794) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)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/C44H69N15O10/c1-24(2)21-34(40(67)55-31(8-5-19-52-43(48)49)38(65)57-33(36(45)63)22-26-10-14-28(61)15-11-26)58-39(66)32(9-6-20-53-44(50)69)56-41(68)35(23-27-12-16-29(62)17-13-27)59-37(64)30(54-25(3)60)7-4-18-51-42(46)47/h10-17,24,30-35,61-62H,4-9,18-23H2,1-3H3,(H2,45,63)(H,54,60)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,64)(H4,46,47,51)(H4,48,49,52)(H3,50,53,69)/t30-,31-,32-,33-,34-,35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	117	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))	BDBM50542842 (CHEMBL4640794) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)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/C44H69N15O10/c1-24(2)21-34(40(67)55-31(8-5-19-52-43(48)49)38(65)57-33(36(45)63)22-26-10-14-28(61)15-11-26)58-39(66)32(9-6-20-53-44(50)69)56-41(68)35(23-27-12-16-29(62)17-13-27)59-37(64)30(54-25(3)60)7-4-18-51-42(46)47/h10-17,24,30-35,61-62H,4-9,18-23H2,1-3H3,(H2,45,63)(H,54,60)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,64)(H4,46,47,51)(H4,48,49,52)(H3,50,53,69)/t30-,31-,32-,33-,34-,35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	120	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))	BDBM50542842 (CHEMBL4640794) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)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/C44H69N15O10/c1-24(2)21-34(40(67)55-31(8-5-19-52-43(48)49)38(65)57-33(36(45)63)22-26-10-14-28(61)15-11-26)58-39(66)32(9-6-20-53-44(50)69)56-41(68)35(23-27-12-16-29(62)17-13-27)59-37(64)30(54-25(3)60)7-4-18-51-42(46)47/h10-17,24,30-35,61-62H,4-9,18-23H2,1-3H3,(H2,45,63)(H,54,60)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,64)(H4,46,47,51)(H4,48,49,52)(H3,50,53,69)/t30-,31-,32-,33-,34-,35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542842 (CHEMBL4640794) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)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/C44H69N15O10/c1-24(2)21-34(40(67)55-31(8-5-19-52-43(48)49)38(65)57-33(36(45)63)22-26-10-14-28(61)15-11-26)58-39(66)32(9-6-20-53-44(50)69)56-41(68)35(23-27-12-16-29(62)17-13-27)59-37(64)30(54-25(3)60)7-4-18-51-42(46)47/h10-17,24,30-35,61-62H,4-9,18-23H2,1-3H3,(H2,45,63)(H,54,60)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,64)(H4,46,47,51)(H4,48,49,52)(H3,50,53,69)/t30-,31-,32-,33-,34-,35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542842 (CHEMBL4640794) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)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/C44H69N15O10/c1-24(2)21-34(40(67)55-31(8-5-19-52-43(48)49)38(65)57-33(36(45)63)22-26-10-14-28(61)15-11-26)58-39(66)32(9-6-20-53-44(50)69)56-41(68)35(23-27-12-16-29(62)17-13-27)59-37(64)30(54-25(3)60)7-4-18-51-42(46)47/h10-17,24,30-35,61-62H,4-9,18-23H2,1-3H3,(H2,45,63)(H,54,60)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,64)(H4,46,47,51)(H4,48,49,52)(H3,50,53,69)/t30-,31-,32-,33-,34-,35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542842 (CHEMBL4640794) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)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/C44H69N15O10/c1-24(2)21-34(40(67)55-31(8-5-19-52-43(48)49)38(65)57-33(36(45)63)22-26-10-14-28(61)15-11-26)58-39(66)32(9-6-20-53-44(50)69)56-41(68)35(23-27-12-16-29(62)17-13-27)59-37(64)30(54-25(3)60)7-4-18-51-42(46)47/h10-17,24,30-35,61-62H,4-9,18-23H2,1-3H3,(H2,45,63)(H,54,60)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,64)(H4,46,47,51)(H4,48,49,52)(H3,50,53,69)/t30-,31-,32-,33-,34-,35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542842 (CHEMBL4640794) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)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/C44H69N15O10/c1-24(2)21-34(40(67)55-31(8-5-19-52-43(48)49)38(65)57-33(36(45)63)22-26-10-14-28(61)15-11-26)58-39(66)32(9-6-20-53-44(50)69)56-41(68)35(23-27-12-16-29(62)17-13-27)59-37(64)30(54-25(3)60)7-4-18-51-42(46)47/h10-17,24,30-35,61-62H,4-9,18-23H2,1-3H3,(H2,45,63)(H,54,60)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,64)(H4,46,47,51)(H4,48,49,52)(H3,50,53,69)/t30-,31-,32-,33-,34-,35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542842 (CHEMBL4640794) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)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/C44H69N15O10/c1-24(2)21-34(40(67)55-31(8-5-19-52-43(48)49)38(65)57-33(36(45)63)22-26-10-14-28(61)15-11-26)58-39(66)32(9-6-20-53-44(50)69)56-41(68)35(23-27-12-16-29(62)17-13-27)59-37(64)30(54-25(3)60)7-4-18-51-42(46)47/h10-17,24,30-35,61-62H,4-9,18-23H2,1-3H3,(H2,45,63)(H,54,60)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,64)(H4,46,47,51)(H4,48,49,52)(H3,50,53,69)/t30-,31-,32-,33-,34-,35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair