BDBM50049222 1-Phosphono-4-[3-(4-propylphenoxy)phenyl]butylsulfonic Acid Tripotassium Salt::CHEMBL160340::Tripotassium salt of 4-[3-(4-propyl-phenoxy)-phenyl]-1-phosphono-butane-1-sulfonic acid

SMILES CCCc1ccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)cc1

InChI Key InChIKey=VZXRJAJROJABMH-UHFFFAOYSA-K

Data  1 KI  3 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 4 hits for monomerid = 50049222   

Target4,4'-diapophytoene synthase(Staphylococcus aureus)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50049222(1-Phosphono-4-[3-(4-propylphenoxy)phenyl]butylsulf...)
Affinity DataKi:  5nMAssay Description:Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSqualene synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50049222(1-Phosphono-4-[3-(4-propylphenoxy)phenyl]butylsulf...)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target4,4'-diapophytoene synthase(Staphylococcus aureus)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50049222(1-Phosphono-4-[3-(4-propylphenoxy)phenyl]butylsulf...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSqualene synthase(Rat)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50049222(1-Phosphono-4-[3-(4-propylphenoxy)phenyl]butylsulf...)
Affinity DataIC50:  1.42E+4nMAssay Description:Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed