Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50325600'   

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))	BDBM50325600 ((R)-N-(N-(4-(2,2-diphenylacetamido)-5-(4-hydroxybe...) Show SMILES CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:29.29| Show InChI InChI=1S/C52H71N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-36-48(59)57-52(53)54-41-30-35-47(50(60)55-42-43-37-39-46(58)40-38-43)56-51(61)49(44-31-25-23-26-32-44)45-33-27-24-28-34-45/h23-28,31-34,37-40,47,49,58H,2-12,17-22,29-30,35-36,41-42H2,1H3,(H,55,60)(H,56,61)(H3,53,54,57,59)/t47-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells				Bioorg Med Chem 18: 6292-304 (2010) Article DOI: 10.1016/j.bmc.2010.07.028 BindingDB Entry DOI: 10.7270/Q2416X87
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