BDBM12576 Bisphosphonate 1::CHEMBL923::JMC515594 Compound 64::RIS::Risdronate::US11279719, Example Risedronic acid RIS::[1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid
SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O
InChI Key InChIKey=IIDJRNMFWXDHID-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 45 hits for monomerid = 12576
Affinity DataKi: 0.360nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 0.380nM ΔG°: -13.4kcal/mole IC50: 45.7nMpH: 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
TargetFarnesyl pyrophosphate synthase(Leishmania major)
University Of British Columbia
Curated by ChEMBL
University Of British Columbia
Curated by ChEMBL
Affinity DataKi: 16nMAssay 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
Affinity DataKi: 16nMAssay Description:Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligandMore data for this Ligand-Target Pair
TargetPolyprenyl synthetase family protein(Plasmodium falciparum (isolate 3D7))
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
Affinity DataKi: 17nMAssay Description:Binding affinity towards Farnesyl diphosphate synthase from leishmania majorMore data for this Ligand-Target Pair
Affinity DataKi: 82.2nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
National Institute Of Immunology
Curated by ChEMBL
National Institute Of Immunology
Curated by ChEMBL
Affinity DataKi: 8.30E+6nMAssay Description:Inhibition of human GGPPSChecked by AuthorMore data for this Ligand-Target Pair
TargetPolyprenyl synthetase family protein(Plasmodium falciparum (isolate 3D7))
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
Affinity DataIC50: 170nMAssay Description:Inhibitory activity against Leishmania major Farnesyl diphosphate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 11nMAssay Description:Inhibition of human FPPSMore data for this Ligand-Target Pair
Affinity DataIC50: 6nMAssay Description:Inhibition of FDPS (unknown origin)More data for this Ligand-Target Pair
TargetPolyprenyl synthetase family protein(Plasmodium falciparum (isolate 3D7))
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
Affinity DataIC50: 170nMAssay Description:Inhibitory activity against FPPS in Leishmania majorMore data for this Ligand-Target Pair
Affinity DataIC50: 0.360nMAssay Description:Inhibition of human FPPS using pre-incubation of compound with enzymeMore data for this Ligand-Target Pair
Affinity DataIC50: 82nMAssay Description:Inhibition of human FPPS in absence of pre-incubation of compound with enzymeMore data for this Ligand-Target Pair
Affinity DataIC50: 300nMAssay Description:Inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coliMore data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
National Institute Of Immunology
Curated by ChEMBL
National Institute Of Immunology
Curated by ChEMBL
Affinity DataIC50: 3.00E+8nMAssay Description:Inhibition of human GGPPSChecked by AuthorMore data for this Ligand-Target Pair
Affinity DataIC50: 27nMAssay Description:Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 74nMAssay Description:Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation countingMore data for this Ligand-Target Pair
TargetH(+)-exporting diphosphatase(Trypanosoma brucei)
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
Affinity DataIC50: 6.57E+5nMAssay Description:Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coliMore data for this Ligand-Target Pair
Affinity DataIC50: 453nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
Affinity DataIC50: 5.70nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 5.20nMAssay Description:Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti...More data for this Ligand-Target Pair
Affinity DataIC50: 11nMAssay Description:Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition by scintillation counting analy...More data for this Ligand-Target Pair
Affinity DataIC50: 74nMAssay Description:Inhibition of Toxoplasma gondii recombinant FPPS expressed in Escherichia coli using [4-14C]IPP/DMAPP/GPP as substrate after 30 mins by scintillation...More data for this Ligand-Target Pair
Affinity DataIC50: 11nMAssay Description:Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli BL21(DE3) using GPP and [3H]IPP as substrate incubated for 5 mins prio...More data for this Ligand-Target Pair
Affinity DataIC50: 170nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)More data for this Ligand-Target Pair
Affinity DataIC50: 27nMAssay Description:Inhibition of Trypanosoma cruzi farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degCMore data for this Ligand-Target Pair
Affinity DataIC50: 74nMAssay Description:Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degCMore data for this Ligand-Target Pair
TargetPhosphotransferase(Trypanosoma cruzi)
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
Affinity DataIC50: 3.31E+12nMAssay Description:Inhibitory activity against Trypanosoma cruzi hexokinaseMore data for this Ligand-Target Pair
Affinity DataIC50: 5.70nMAssay Description:Inhibition of human FPPSMore data for this Ligand-Target Pair
Affinity DataIC50: 11nMAssay Description:Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [14C]IPP and GPP as substrate incubated for 10 m...More data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
National Institute Of Immunology
Curated by ChEMBL
National Institute Of Immunology
Curated by ChEMBL
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human recombinant N-terminal His6 tagged GGPPS expressed in Escherichia coli BL21 using FPP and [14C]IPP as substrate incubated for 10 ...More data for this Ligand-Target Pair
Affinity DataIC50: 860nMAssay Description:Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate measured after 20 m...More data for this Ligand-Target Pair
Affinity DataIC50: 70nMAssay 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: 10nMAssay Description:Inhibition of FDPS (unknown origin)More data for this Ligand-Target Pair
Target4-hydroxy-3-methylbut-2-enyl diphosphate reductase(Aquifex aeolicus)
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrateMore data for this Ligand-Target Pair
Affinity DataEC50: 80nMAssay Description:Binding affinity to BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cellsMore data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
National Institute Of Immunology
Curated by ChEMBL
National Institute Of Immunology
Curated by ChEMBL
Affinity DataIC50: >5.00E+3nMAssay 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
Affinity DataIC50: 170nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase was determinedMore data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibitory activity against the human recombinant FPPSase(Farnesyl diphosphate) enzymeMore data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
National Institute Of Immunology
Curated by ChEMBL
National Institute Of Immunology
Curated by ChEMBL
Affinity DataIC50: 3.50E+5nMAssay Description:Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).More data for this Ligand-Target Pair
Affinity DataIC50: 200nMAssay Description:Inhibition of FPPS (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 6nMAssay 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: 3.90nMAssay Description:Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atriaMore data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant human FPPS expressed in Escherichia coli by scintillation countingMore data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
National Institute Of Immunology
Curated by ChEMBL
National Institute Of Immunology
Curated by ChEMBL
Affinity DataIC50: 3.31E+5nMAssay Description:The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...More data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 2 hits for monomerid = 12576
CellFarnesyl Diphosphate Synthase (FPPS)(Trypanosoma brucei)
University of Illinois At Urbana-Champaign
University of Illinois At Urbana-Champaign
ITC DataΔG°: -9.69kcal/mole −TΔS°: -0.846kcal/mole ΔH°: -8.86kcal/mole logk: 1.31E+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°: -8.67kcal/mole −TΔS°: 1.73kcal/mole ΔH°: -10.4kcal/mole logk: 2.31E+6
pH: 8.5 T: 26.85°C
pH: 8.5 T: 26.85°C