Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide S receptor' and Ligand = 'BDBM50322834'   

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 S receptor (Homo sapiens (Human))	BDBM50322834 (CHEMBL1210242 | N-((1-methyl-2-oxo-1,2-dihydroquin...) Show SMILES Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CCN2CCCCC2)c1=O Show InChI InChI=1S/C28H41N3O2/c1-28(2,16-19-30-17-10-5-11-18-30)31(27(33)22-12-6-4-7-13-22)21-24-20-23-14-8-9-15-25(23)29(3)26(24)32/h8-9,14-15,20,22H,4-7,10-13,16-19,21H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
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