BDBM50098378 (1-Hydroxy-1-phosphono-2-pyridin-2-yl-ethyl)-phosphonic acid::1-hydroxy-2-(pyridin-2-yl)ethane-1,1-diyldiphosphonic acid::2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium::2-(2-pyridyl)-1-hydroxy-ethane-1,1-bisphosphonate::CHEMBL434024

SMILES OC(Cc1ccccn1)(P(O)(O)=O)P(O)(O)=O

InChI Key InChIKey=XXNASZAYANFLID-UHFFFAOYSA-N

Data  3 KI  8 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 11 hits for monomerid = 50098378   

TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098378(2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium |...)
Affinity DataIC50: 140nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098378(2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium |...)
Affinity DataIC50: 349nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098378(2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium |...)
Affinity DataIC50: 9.20nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098378(2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium |...)
Affinity DataIC50: 141nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME (M)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target4-hydroxy-3-methylbut-2-enyl diphosphate reductase(Aquifex aeolicus (strain VF5))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098378(2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium |...)
Affinity DataIC50: 4.85E+5nMAssay Description:Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetGeranylgeranyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50098378(2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium |...)
Affinity DataIC50: 1.00E+8nMAssay 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)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098378(2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium |...)
Affinity DataIC50: 4nMAssay 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
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098378(2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium |...)
Affinity DataIC50: 4nMAssay Description:Inhibition of human FPPS expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins in presence compound relative to controlMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098378(2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium |...)
Affinity DataKi:  0.740nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098378(2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium |...)
Affinity DataKi:  14nMAssay Description:Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098378(2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium |...)
Affinity DataKi:  59.3nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed