BDBM50442546 CHEMBL2440902

SMILES: NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1

InChI Key: InChIKey=ATEJRZJDBYFLLU-JGCGQSQUSA-N

Data: 2 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 2 hits for monomerid = 50442546   

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 1 (Homo sapiens (Human))	BDBM50442546 (CHEMBL2440902) Show SMILES NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:24.24| Show InChI InChI=1S/C41H56N12O7/c42-20-19-35(56)47-23-22-45-33(54)17-18-34(55)46-24-25-49-41(60)53-39(43)48-21-7-12-32(37(57)50-26-28-13-15-29(16-14-28)27-51-40(44)59)52-38(58)36(30-8-3-1-4-9-30)31-10-5-2-6-11-31/h1-6,8-11,13-16,32,36H,7,12,17-27,42H2,(H,45,54)(H,46,55)(H,47,56)(H,50,57)(H,52,58)(H3,44,51,59)(H4,43,48,49,53,60)/t32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	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-MK114 from human neuropeptide Y receptor type 1 expressed in human SK-N-MC cells				Bioorg Med Chem 21: 6303-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.065 BindingDB Entry DOI: 10.7270/Q2J104MN
					More data for this Ligand-Target Pair
PPYR1 (Homo sapiens (Human))	BDBM50442546 (CHEMBL2440902) Show SMILES NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:24.24| Show InChI InChI=1S/C41H56N12O7/c42-20-19-35(56)47-23-22-45-33(54)17-18-34(55)46-24-25-49-41(60)53-39(43)48-21-7-12-32(37(57)50-26-28-13-15-29(16-14-28)27-51-40(44)59)52-38(58)36(30-8-3-1-4-9-30)31-10-5-2-6-11-31/h1-6,8-11,13-16,32,36H,7,12,17-27,42H2,(H,45,54)(H,46,55)(H,47,56)(H,50,57)(H,52,58)(H3,44,51,59)(H4,43,48,49,53,60)/t32-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+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 Binding affinity to human neuropeptide Y receptor type 4 receptor expressed in CHO cells using Cy5-[K4]-hPP by flow cytometric analysis				Bioorg Med Chem 21: 6303-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.065 BindingDB Entry DOI: 10.7270/Q2J104MN
					More data for this Ligand-Target Pair