BDBM50098386 (1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosphonic acid::1-hydroxy-2-(pyridin-4-yl)ethane-1,1-diyldiphosphonic acid::2-(4-pyridyl)-1-hydroxy-ethane-1,1-bisphosphonate::4-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium::CHEMBL55886

SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O

InChI Key InChIKey=ZWHKKFUMEGWCKH-UHFFFAOYSA-N

Data  9 KI  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 14 hits for monomerid = 50098386   

TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataKi:  130nMAssay Description:Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataKi:  2.80E+3nMAssay Description:Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataKi:  3.30E+3nMAssay Description:Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataKi:  3.40E+3nMAssay Description:Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataKi:  4.30E+3nMAssay Description:Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataKi:  6.00E+3nMAssay Description:Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataKi:  1.05E+4nMAssay Description:Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataKi:  1.14E+4nMAssay Description:Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataKi:  4.39E+4nMAssay Description:Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyprenyl synthetase family protein(Plasmodium falciparum (isolate 3D7))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataIC50:  1.34E+3nMAssay Description:Inhibitory activity against FPPS in Leishmania majorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataIC50:  1.26E+4nMAssay Description:Inhibitory activity against Trypanosoma cruzi hexokinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataIC50:  1.35E+3nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50098386((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Affinity DataIC50:  1.27E+4nMAssay Description:Inhibition of Trypanosoma cruzi hexokinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed