BDBM50322851 CHEMBL1210423::sodium 3-(3-(tert-butylthio)-1-(4-(5-methoxypyrimidin-2-yl)benzyl)-5-((5-methylpyridin-2-yl)methoxy)-1H-indol-2-yl)-2,2-dimethylpropanoate

SMILES COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1

InChI Key InChIKey=XIPYFDKZPWWWGS-UHFFFAOYSA-M

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50322851   

TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Amira Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50322851(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetArachidonate 5-lipoxygenase-activating protein(Homo sapiens (Human))
Amira Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50322851(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)
Affinity DataIC50:  2nMAssay Description:Binding affinity to FLAP in human PMN by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Amira Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50322851(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Amira Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50322851(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Amira Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50322851(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)
Affinity DataIC50:  4.50E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amira Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50322851(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)
Affinity DataIC50:  8.80E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed