BDBM50520646 CHEMBL4564934::US11279719, Example I-5

SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1

InChI Key InChIKey=OQDLCRSLKGGECD-UHFFFAOYSA-N

Data  4 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 = 50520646   

TargetGeranylgeranyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50520646(CHEMBL4564934 | US11279719, Example I-5)
Affinity DataIC50: 92nMAssay Description:Inhibition of human N-terminal His6-tagged GGPPS Y246D mutant expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetGeranylgeranyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50520646(CHEMBL4564934 | US11279719, Example I-5)
Affinity DataIC50: 85nMAssay Description:Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50520646(CHEMBL4564934 | US11279719, Example I-5)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human FPPS using [14C]-IPP and FPP as substrates after 10 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetGeranylgeranyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50520646(CHEMBL4564934 | US11279719, Example I-5)
Affinity DataIC50: 100nMAssay Description:The assay was based on a literature procedure (Kavanagh, et al. J. Biol. Chem., 2006, 281, 22004-22012) with minor modifications. All assays were run...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2022
Entry Details
Go to US Patent