Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50442548'   

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 1 (Homo sapiens (Human))	BDBM50442548 (CHEMBL2440908) Show SMILES NCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:25.25| Show InChI InChI=1S/C42H59N11O8/c43-19-24-60-26-27-61-25-23-47-36(55)18-17-35(54)46-21-22-49-42(59)53-40(44)48-20-7-12-34(38(56)50-28-30-13-15-31(16-14-30)29-51-41(45)58)52-39(57)37(32-8-3-1-4-9-32)33-10-5-2-6-11-33/h1-6,8-11,13-16,34,37H,7,12,17-29,43H2,(H,46,54)(H,47,55)(H,50,56)(H,52,57)(H3,45,51,58)(H4,44,48,49,53,59)/t34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	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
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