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BDBM50338380 3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiophen-3-yl)quinoline-4-carboxamide::CHEMBL1682950

SMILES: CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccsc1)S(C)=O)c1ccccc1

InChI Key: InChIKey=MYIZPPSONMKYOD-QUZMYUOTSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338380   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50338380
PNG
(3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiop...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccsc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H22N2O2S2/c1-3-19(16-9-5-4-6-10-16)26-24(27)21-18-11-7-8-12-20(18)25-22(23(21)30(2)28)17-13-14-29-15-17/h4-15,19H,3H2,1-2H3,(H,26,27)/t19-,30?/m0/s1
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Similars

Article
PubMed
n/an/an/an/a 1.80n/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