BDBM50542840 CHEMBL4632871

SMILES: N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=ULJOCIJDOAGASK-IXPCYXQGSA-N

Data: 8 KI

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 = 50542840   

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))	BDBM50542840 (CHEMBL4632871) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C47H67N17O8/c48-32(7-3-19-56-45(50)51)40(68)63-37(23-27-13-17-30(66)18-14-27)43(71)60-35(10-5-21-58-47(54)55)42(70)64-38(24-28-25-59-33-8-2-1-6-31(28)33)44(72)61-34(9-4-20-57-46(52)53)41(69)62-36(39(49)67)22-26-11-15-29(65)16-12-26/h1-2,6,8,11-18,25,32,34-38,59,65-66H,3-5,7,9-10,19-24,48H2,(H2,49,67)(H,60,71)(H,61,72)(H,62,69)(H,63,68)(H,64,70)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t32-,34-,35-,36-,37-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	27	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))	BDBM50542840 (CHEMBL4632871) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C47H67N17O8/c48-32(7-3-19-56-45(50)51)40(68)63-37(23-27-13-17-30(66)18-14-27)43(71)60-35(10-5-21-58-47(54)55)42(70)64-38(24-28-25-59-33-8-2-1-6-31(28)33)44(72)61-34(9-4-20-57-46(52)53)41(69)62-36(39(49)67)22-26-11-15-29(65)16-12-26/h1-2,6,8,11-18,25,32,34-38,59,65-66H,3-5,7,9-10,19-24,48H2,(H2,49,67)(H,60,71)(H,61,72)(H,62,69)(H,63,68)(H,64,70)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t32-,34-,35-,36-,37-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	28	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))	BDBM50542840 (CHEMBL4632871) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C47H67N17O8/c48-32(7-3-19-56-45(50)51)40(68)63-37(23-27-13-17-30(66)18-14-27)43(71)60-35(10-5-21-58-47(54)55)42(70)64-38(24-28-25-59-33-8-2-1-6-31(28)33)44(72)61-34(9-4-20-57-46(52)53)41(69)62-36(39(49)67)22-26-11-15-29(65)16-12-26/h1-2,6,8,11-18,25,32,34-38,59,65-66H,3-5,7,9-10,19-24,48H2,(H2,49,67)(H,60,71)(H,61,72)(H,62,69)(H,63,68)(H,64,70)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t32-,34-,35-,36-,37-,38-/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))	BDBM50542840 (CHEMBL4632871) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C47H67N17O8/c48-32(7-3-19-56-45(50)51)40(68)63-37(23-27-13-17-30(66)18-14-27)43(71)60-35(10-5-21-58-47(54)55)42(70)64-38(24-28-25-59-33-8-2-1-6-31(28)33)44(72)61-34(9-4-20-57-46(52)53)41(69)62-36(39(49)67)22-26-11-15-29(65)16-12-26/h1-2,6,8,11-18,25,32,34-38,59,65-66H,3-5,7,9-10,19-24,48H2,(H2,49,67)(H,60,71)(H,61,72)(H,62,69)(H,63,68)(H,64,70)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t32-,34-,35-,36-,37-,38-/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 2 (Homo sapiens (Human))	BDBM50542840 (CHEMBL4632871) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C47H67N17O8/c48-32(7-3-19-56-45(50)51)40(68)63-37(23-27-13-17-30(66)18-14-27)43(71)60-35(10-5-21-58-47(54)55)42(70)64-38(24-28-25-59-33-8-2-1-6-31(28)33)44(72)61-34(9-4-20-57-46(52)53)41(69)62-36(39(49)67)22-26-11-15-29(65)16-12-26/h1-2,6,8,11-18,25,32,34-38,59,65-66H,3-5,7,9-10,19-24,48H2,(H2,49,67)(H,60,71)(H,61,72)(H,62,69)(H,63,68)(H,64,70)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t32-,34-,35-,36-,37-,38-/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 1 (Homo sapiens (Human))	BDBM50542840 (CHEMBL4632871) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C47H67N17O8/c48-32(7-3-19-56-45(50)51)40(68)63-37(23-27-13-17-30(66)18-14-27)43(71)60-35(10-5-21-58-47(54)55)42(70)64-38(24-28-25-59-33-8-2-1-6-31(28)33)44(72)61-34(9-4-20-57-46(52)53)41(69)62-36(39(49)67)22-26-11-15-29(65)16-12-26/h1-2,6,8,11-18,25,32,34-38,59,65-66H,3-5,7,9-10,19-24,48H2,(H2,49,67)(H,60,71)(H,61,72)(H,62,69)(H,63,68)(H,64,70)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t32-,34-,35-,36-,37-,38-/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 5 (Homo sapiens (Human))	BDBM50542840 (CHEMBL4632871) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C47H67N17O8/c48-32(7-3-19-56-45(50)51)40(68)63-37(23-27-13-17-30(66)18-14-27)43(71)60-35(10-5-21-58-47(54)55)42(70)64-38(24-28-25-59-33-8-2-1-6-31(28)33)44(72)61-34(9-4-20-57-46(52)53)41(69)62-36(39(49)67)22-26-11-15-29(65)16-12-26/h1-2,6,8,11-18,25,32,34-38,59,65-66H,3-5,7,9-10,19-24,48H2,(H2,49,67)(H,60,71)(H,61,72)(H,62,69)(H,63,68)(H,64,70)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t32-,34-,35-,36-,37-,38-/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))	BDBM50542840 (CHEMBL4632871) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C47H67N17O8/c48-32(7-3-19-56-45(50)51)40(68)63-37(23-27-13-17-30(66)18-14-27)43(71)60-35(10-5-21-58-47(54)55)42(70)64-38(24-28-25-59-33-8-2-1-6-31(28)33)44(72)61-34(9-4-20-57-46(52)53)41(69)62-36(39(49)67)22-26-11-15-29(65)16-12-26/h1-2,6,8,11-18,25,32,34-38,59,65-66H,3-5,7,9-10,19-24,48H2,(H2,49,67)(H,60,71)(H,61,72)(H,62,69)(H,63,68)(H,64,70)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t32-,34-,35-,36-,37-,38-/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