Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide S receptor' and Ligand = 'BDBM50322837'   

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))	BDBM50322837 (CHEMBL1210311 | rac-N-(1-(4-fluoropiperidin-1-yl)-...) Show SMILES CCC(C)(CCN1CCC(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C29H42FN3O2/c1-4-29(2,16-19-32-17-14-25(30)15-18-32)33(28(35)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-26(23)31(3)27(24)34/h8-9,12-13,20,22,25H,4-7,10-11,14-19,21H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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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