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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 = 'BDBM50348616'   
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))		BDBM50348616
PNG
(CHEMBL1801360)
Show SMILES COc1ccc2-c3nccn3C(CCC(=O)N3[C@@H](C)CC[C@H]3C)(c2c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H28ClN3O2/c1-17-4-5-18(2)30(17)24(31)12-13-26(19-6-8-20(27)9-7-19)23-16-21(32-3)10-11-22(23)25-28-14-15-29(25)26/h6-11,14-18H,4-5,12-13H2,1-3H3/t17-,18+,26?
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Similars
Article
PubMed
n/an/a 50n/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