Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 4' and Ligand = 'BDBM50442557'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50442557 (CHEMBL2440927) Show SMILES NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:28.28,84.87| Show InChI InChI=1S/C82H112N18O16/c83-37-46-100(47-40-86-69(103)33-35-71(105)88-42-49-113-53-55-115-51-44-92-81(111)98-79(84)90-38-13-23-67(75(107)94-57-59-25-29-65(101)30-26-59)96-77(109)73(61-15-5-1-6-16-61)62-17-7-2-8-18-62)48-41-87-70(104)34-36-72(106)89-43-50-114-54-56-116-52-45-93-82(112)99-80(85)91-39-14-24-68(76(108)95-58-60-27-31-66(102)32-28-60)97-78(110)74(63-19-9-3-10-20-63)64-21-11-4-12-22-64/h1-12,15-22,25-32,67-68,73-74,101-102H,13-14,23-24,33-58,83H2,(H,86,103)(H,87,104)(H,88,105)(H,89,106)(H,94,107)(H,95,108)(H,96,109)(H,97,110)(H4,84,90,92,98,111)(H4,85,91,93,99,112)/t67-,68-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	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
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