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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50338369'   
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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50338369
PNG
(3-((S)-methylsulfinyl)-2-phenyl-N-((S)-1-phenylpro...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)[S@](C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N2O2S/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(25(23)31(2)30)19-14-8-5-9-15-19/h4-17,21H,3H2,1-2H3,(H,28,29)/t21-,31-/m0/s1
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Similars

Article
PubMed
n/an/an/an/a 3.70n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair