Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide S receptor' and Ligand = 'BDBM50348613'   

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))	BDBM50348613 (CHEMBL1801338) Show SMILES CC(C1CCN(CC1)C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1)N1CCC(F)(F)C1 Show InChI InChI=1S/C30H33ClF2N4O/c1-21(36-18-14-29(32,33)20-36)22-11-16-35(17-12-22)27(38)10-13-30(23-6-8-24(31)9-7-23)26-5-3-2-4-25(26)28-34-15-19-37(28)30/h2-9,15,19,21-22H,10-14,16-18,20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	239	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: 4704-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.016 BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
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