BDBM50059865 4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydroxyphosphorylmethylphosphonic acid anion::CHEMBL103617::Farnesyl PMP, 2::N-hydroxyglycine derivative::[Hydroxy-((3E,7E)-4,8,12-trimethyl-trideca-3,7,11-trienyl)-phosphinoylmethyl]-phosphonic acid::[Hydroxy-(4,8,12-trimethyl-trideca-3,7,11-trienyl)-phosphinoyl]-methanephosphonic acid anion::[Hydroxy-(4,8,12-trimethyl-trideca-3,7,11-trienyl)-phosphinoylmethyl]-phosphonate

SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]=[#6]P([#8])(=O)[#6]P([#8])([#8])=O

InChI Key InChIKey=QGDDJPMQPLKYJZ-XDLIAAFLSA-N

Data  4 KI  2 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 = 50059865   

TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM50059865(4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydr...)
Affinity DataKi:  830nMAssay Description:FPTase activity was assayed in the biosynthetically forward direction at 30C.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50059865(4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydr...)
Affinity DataKi:  830nMAssay Description:Inhibitory activity against farnesyl pyrophosphateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM50059865(4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydr...)
Affinity DataKi:  1.30E+3nMAssay Description:Assay using farnesyl-ras-CVLS as the protein acceptor substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSqualene synthase(Rattus norvegicus)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50059865(4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydr...)
Affinity DataKi:  1.00E+4nMAssay Description:Inhibitory activity against microsomal squalene synthaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSqualene synthase(Rattus norvegicus)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50059865(4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydr...)
Affinity DataIC50:  3.15E+4nMAssay Description:In vitro inhibitory activity measured against rat squalene synthase(SQS) enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSqualene synthase(Rattus norvegicus)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50059865(4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydr...)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibitory activity against squalene synthase using rat liver microsomal assayMore data for this Ligand-Target Pair
In DepthDetails Article