BDBM50441958 CHEMBL2440119

SMILES: C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=DVFMZXMRSBGZSI-MPAKYALESA-N

Data: 4 KI  1 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 5 hits for monomerid = 50441958   

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
PPYR1 (Homo sapiens (Human))	BDBM50441958 (CHEMBL2440119) Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C33H54N12O8/c1-17(46)26(41-18(2)47)31(53)44-24(9-5-15-40-33(37)38)29(51)42-22-7-3-6-21(22)28(50)43-23(8-4-14-39-32(35)36)30(52)45-25(27(34)49)16-19-10-12-20(48)13-11-19/h10-13,17,21-26,46,48H,3-9,14-16H2,1-2H3,(H2,34,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H4,35,36,39)(H4,37,38,40)/t17-,21-,22+,23+,24+,25+,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	509	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 Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50441958 (CHEMBL2440119) Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C33H54N12O8/c1-17(46)26(41-18(2)47)31(53)44-24(9-5-15-40-33(37)38)29(51)42-22-7-3-6-21(22)28(50)43-23(8-4-14-39-32(35)36)30(52)45-25(27(34)49)16-19-10-12-20(48)13-11-19/h10-13,17,21-26,46,48H,3-9,14-16H2,1-2H3,(H2,34,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H4,35,36,39)(H4,37,38,40)/t17-,21-,22+,23+,24+,25+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 Cy5-pNPY from human Y2 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50441958 (CHEMBL2440119) Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C33H54N12O8/c1-17(46)26(41-18(2)47)31(53)44-24(9-5-15-40-33(37)38)29(51)42-22-7-3-6-21(22)28(50)43-23(8-4-14-39-32(35)36)30(52)45-25(27(34)49)16-19-10-12-20(48)13-11-19/h10-13,17,21-26,46,48H,3-9,14-16H2,1-2H3,(H2,34,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H4,35,36,39)(H4,37,38,40)/t17-,21-,22+,23+,24+,25+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5) (Homo sapiens (Human))	BDBM50441958 (CHEMBL2440119) Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C33H54N12O8/c1-17(46)26(41-18(2)47)31(53)44-24(9-5-15-40-33(37)38)29(51)42-22-7-3-6-21(22)28(50)43-23(8-4-14-39-32(35)36)30(52)45-25(27(34)49)16-19-10-12-20(48)13-11-19/h10-13,17,21-26,46,48H,3-9,14-16H2,1-2H3,(H2,34,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H4,35,36,39)(H4,37,38,40)/t17-,21-,22+,23+,24+,25+,26+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair
PPYR1 (Homo sapiens (Human))	BDBM50441958 (CHEMBL2440119) Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C33H54N12O8/c1-17(46)26(41-18(2)47)31(53)44-24(9-5-15-40-33(37)38)29(51)42-22-7-3-6-21(22)28(50)43-23(8-4-14-39-32(35)36)30(52)45-25(27(34)49)16-19-10-12-20(48)13-11-19/h10-13,17,21-26,46,48H,3-9,14-16H2,1-2H3,(H2,34,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H4,35,36,39)(H4,37,38,40)/t17-,21-,22+,23+,24+,25+,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	451	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4 receptor expressed in sf9 cells assessed as hydrolysis of [gamma-33P]GTP after 2 mins by scintillation counting analysis				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair