BDBM50520641 CHEMBL4455060::US11279719, Example I-13

SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)c2ccccc2)c1)P(O)(O)=O

InChI Key InChIKey=QQFCQDRBVCSYKL-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50520641   

TargetGeranylgeranyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50520641(CHEMBL4455060 | US11279719, Example I-13)
Affinity DataIC50: 64nMAssay 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
LigandPNGBDBM50520641(CHEMBL4455060 | US11279719, Example I-13)
Affinity DataIC50: 2.00E+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
LigandPNGBDBM50520641(CHEMBL4455060 | US11279719, Example I-13)
Affinity DataIC50: 39nMAssay 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
LigandPNGBDBM50520641(CHEMBL4455060 | US11279719, Example I-13)
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

TargetGeranylgeranyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50520641(CHEMBL4455060 | US11279719, Example I-13)
Affinity DataIC50: 19nMAssay Description:Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed