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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 = 'BDBM50338375'   
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))
BDBM50338375
PNG
(3-(2-(methylsulfinyl)ethyl)-2-phenyl-N-((S)-1-phen...)
Show SMILES CC[C@H](NC(=O)c1c(CCS(C)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H28N2O2S/c1-3-24(20-12-6-4-7-13-20)30-28(31)26-22-16-10-11-17-25(22)29-27(21-14-8-5-9-15-21)23(26)18-19-33(2)32/h4-17,24H,3,18-19H2,1-2H3,(H,30,31)/t24-,33?/m0/s1
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Article
PubMed
n/an/an/an/a 3.30n/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