BDBM50520643 CHEMBL4538679::US11279719, Example I-39

SMILES COc1ccc(NC(=O)c2cccc(c2)-c2nc(NC(P(O)(O)=O)P(O)(O)=O)c3ccsc3n2)cc1

InChI Key InChIKey=AYOCHHJBZWKCSC-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50520643   

TargetGeranylgeranyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50520643(CHEMBL4538679 | US11279719, Example I-39)
Affinity DataIC50: 75nMAssay 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
LigandPNGBDBM50520643(CHEMBL4538679 | US11279719, Example I-39)
Affinity DataIC50: 1.30E+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
LigandPNGBDBM50520643(CHEMBL4538679 | US11279719, Example I-39)
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