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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide S receptor' and Ligand = 'BDBM50348609'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348609
PNG
(CHEMBL1801334)
Show SMILES CCN(C(C)C)C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O/c1-4-27(17(2)3)22(29)13-14-24(18-9-11-19(25)12-10-18)21-8-6-5-7-20(21)23-26-15-16-28(23)24/h5-12,15-17H,4,13-14H2,1-3H3
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n/an/a 138n/an/an/an/an/an/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
More data for this
Ligand-Target Pair