BDBM12578 2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosphonic acid::Bisphosphonate 3::CGP-42446::CHEMBL924::JMC515594 Compound 55::Reclast::US11279719, Example Zolendronic acid (ZOL)::ZOL::Zoledronate::Zometa::[1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid::zoledronic acid
SMILES c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O
InChI Key InChIKey=XRASPMIURGNCCH-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 78 hits for monomerid = 12578
TargetPutative farnesyl pyrophosphate synthase(Cryptosporidium parvum (strain Iowa II))
University of Toronto
University of Toronto
Affinity DataKi: 0.0500nM ΔG°: -14.6kcal/mole IC50: 30.1nMpH: 7.7 T: 2°CAssay Description:Enzymatic assay using CpNPPPS was assayed using Reed and Rilling method with some modification. More data for this Ligand-Target Pair
Affinity DataKi: 0.0700nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 0.240nMAssay Description:Negative logarithm of inhibitory concentration against bone resorptionMore data for this Ligand-Target Pair
Affinity DataIC50: 2nMAssay Description:Inhibition of N-terminal His-tagged human FPPS (1 to 353 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before addition...More data for this Ligand-Target Pair
Affinity DataIC50: 3nMAssay Description:Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l...More data for this Ligand-Target Pair
Affinity DataIC50: 3nMAssay Description:Inhibition of recombinant human FPPS expressed in Escherichia coli by scintillation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 3nMAssay Description:Inhibition of FDPS (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:To measure the kinetic constants by radioactive assays, 0.2 μM wild-type E. coli OPPS and the wild-type or mutant S. cerevisiae GGPPS and human ...More data for this Ligand-Target Pair
Affinity DataIC50: 4.10nMAssay Description:Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)More data for this Ligand-Target Pair
Affinity DataIC50: 4.10nMAssay Description:Inhibition of human FPPS expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins in presence compound by scintillation counting analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 4.10nMAssay Description:Inhibition of human FPPSMore data for this Ligand-Target Pair
Affinity DataIC50: 4.10nMAssay Description:Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate incubated for 10 mi...More data for this Ligand-Target Pair
Affinity DataIC50: 4.10nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
TargetFarnesyl pyrophosphate synthase(Leishmania major)
University of British Columbia
Curated by ChEMBL
University of British Columbia
Curated by ChEMBL
Affinity DataKi: 10nMAssay Description:Inhibition of recombinant Leishmania major FPPS expressed in Escherichia coli BL21(DE3) using GPP and [14C]IPP as substrate incubated for 15 mins by ...More data for this Ligand-Target Pair
TargetPolyprenyl synthetase family protein(Leishmania donovani)
University of Illinois At Urbana-Champaign
Curated by ChEMBL
University of Illinois At Urbana-Champaign
Curated by ChEMBL
Affinity DataKi: 11nMAssay Description:Binding affinity towards Farnesyl diphosphate synthase from leishmania majorMore data for this Ligand-Target Pair
Affinity DataIC50: 60nMAssay Description:Inhibition of recombinant human C-terminal His6-tagged FPPS expressed in Escherichia coli BL21 using DMAPP and IPP as substrates pretreated for 15 mi...More data for this Ligand-Target Pair
Affinity DataIC50: 62nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 pretreated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
Affinity DataIC50: 62nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataKi: 85.9nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
Affinity DataIC50: 92nMAssay Description:Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
Affinity DataIC50: 92nMAssay Description:Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...More data for this Ligand-Target Pair
TargetPolyprenyl synthetase family protein(Leishmania donovani)
University of Illinois At Urbana-Champaign
Curated by ChEMBL
University of Illinois At Urbana-Champaign
Curated by ChEMBL
Affinity DataIC50: 110nMAssay Description:Inhibitory activity against Leishmania major Farnesyl diphosphate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 130nMAssay Description:Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay Description:Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I...More data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay Description:Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I...More data for this Ligand-Target Pair
Affinity DataIC50: 170nMAssay Description:Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and [14C] IPP as ...More data for this Ligand-Target Pair
Affinity DataIC50: 170nMAssay Description:Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and [14C] IPP as ...More data for this Ligand-Target Pair
Affinity DataIC50: 173nMAssay Description:Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using IPP as su...More data for this Ligand-Target Pair
Affinity DataIC50: 173nMAssay Description:Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using IPP as su...More data for this Ligand-Target Pair
Affinity DataIC50: 200nMAssay Description:Inhibition of human FPPS pre-incubated for 30 mins using GPP and IPP by continuous spectrophotometric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 200nMAssay Description:Inhibition of FPPS (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 220nMAssay Description:Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using DMAPP and...More data for this Ligand-Target Pair
Affinity DataIC50: 220nMAssay Description:Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using DMAPP and...More data for this Ligand-Target Pair
Affinity DataIC50: 220nMAssay Description:The assays were performed by mixing either 0.2 μM E. coli OPPS, Y107A/F108A S. cerevisiae GGPPS, or Y96A/F97A human GGPPS with various concentra...More data for this Ligand-Target Pair
Affinity DataIC50: 250nMAssay Description:Inhibition of human FPPS using IPP and GPPMore data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase BTS1(Baker's yeast)
Institute of Biological Chemistry
Curated by ChEMBL
Institute of Biological Chemistry
Curated by ChEMBL
Affinity DataKi: 260nMAssay Description:Binding affinity to Saccharomyces cerevisiae GGPPSMore data for this Ligand-Target Pair
Affinity DataIC50: 290nMAssay Description:To measure the kinetic constants by radioactive assays, 0.2 μM wild-type E. coli OPPS and the wild-type or mutant S. cerevisiae GGPPS and human ...More data for this Ligand-Target Pair
Affinity DataIC50: 316nMAssay Description:Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
Affinity DataIC50: 316nMAssay Description:Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataIC50: 475nMAssay Description:Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate measured after 10 m...More data for this Ligand-Target Pair
Affinity DataIC50: 475nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
Affinity DataEC50: 487nMAssay Description:Binding affinity to butyrophilin 3A1 in human Vgamma9/Vdelta2 T-cells assessed as activation of Vgamma9/Vdelta2 T-cells by upregulation of CD69 and C...More data for this Ligand-Target Pair
Affinity DataIC50: 550nMAssay Description:Inhibition of human recombinant FPPS using IPP as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after 1 ...More data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase BTS1(Baker's yeast)
Institute of Biological Chemistry
Curated by ChEMBL
Institute of Biological Chemistry
Curated by ChEMBL
Affinity DataIC50: 660nMAssay Description:To measure the kinetic constants by radioactive assays, 0.2 μM wild-type E. coli OPPS and the wild-type or mutant S. cerevisiae GGPPS and human ...More data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase BTS1(Baker's yeast)
Institute of Biological Chemistry
Curated by ChEMBL
Institute of Biological Chemistry
Curated by ChEMBL
Affinity DataIC50: 660nMAssay Description:Inhibition of Saccharomyces cerevisiae GGPPSMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 2 hits for monomerid = 12578
CellFarnesyl Diphosphate Synthase (FPPS)(Trypanosoma brucei)
University of Illinois At Urbana-Champaign
University of Illinois At Urbana-Champaign
ITC DataΔG°: -9.91kcal/mole −TΔS°: -11.6kcal/mole ΔH°: 1.65kcal/mole logk: 2.04E+7
pH: 7.4 T: 26.85°C
pH: 7.4 T: 26.85°C
CellFarnesyl Diphosphate Synthase (FPPS)(Trypanosoma brucei)
University of Illinois At Urbana-Champaign
University of Illinois At Urbana-Champaign
ITC DataΔG°: -9.04kcal/mole −TΔS°: -4.31kcal/mole ΔH°: -4.75kcal/mole logk: 4.60E+6
pH: 8.5 T: 26.85°C
pH: 8.5 T: 26.85°C

3D Structure (crystal)