Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide S receptor' and Ligand = 'BDBM50322840'   

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))	BDBM50322840 (CHEMBL1210411 | rac-N-(3-ethyl-1-morpholinopentan-...) Show SMILES CCC(CC)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C29H43N3O3/c1-4-29(5-2,15-16-31-17-19-35-20-18-31)32(28(34)23-11-7-6-8-12-23)22-25-21-24-13-9-10-14-26(24)30(3)27(25)33/h9-10,13-14,21,23H,4-8,11-12,15-20,22H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	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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