BDBM12577 Bisphosphonate 2::CHEMBL997::JMC515594 Compound 53::{1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid
SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O
InChI Key InChIKey=MPBVHIBUJCELCL-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 12 hits for monomerid = 12577
Affinity DataKi: 3.60nMAssay 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: 46nMAssay Description:Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligandMore data for this Ligand-Target Pair
Affinity DataKi: 195nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibitory activity against the human recombinant FPPSase(Farnesyl diphosphate) enzymeMore data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atriaMore data for this Ligand-Target Pair
Affinity DataIC50: 25.4nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.05E+3nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
Affinity DataIC50: 479nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)More data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
Affinity DataIC50: 8.30E+4nMAssay Description:Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).More data for this Ligand-Target Pair
Affinity DataIC50: 480nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase was determinedMore data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
University Of Illinois At Urbana-Champaign
Curated by ChEMBL
Affinity DataIC50: 7.94E+4nMAssay 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
Affinity DataIC50: 640nMAssay Description:Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati...More data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 2 hits for monomerid = 12577
CellFarnesyl Diphosphate Synthase (FPPS)(Trypanosoma brucei)
University of Illinois At Urbana-Champaign
University of Illinois At Urbana-Champaign
ITC DataΔG°: -9.13kcal/mole −TΔS°: -15.2kcal/mole ΔH°: 6.02kcal/mole logk: 5.07E+6
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°: -8.38kcal/mole −TΔS°: -11.4kcal/mole ΔH°: 2.91kcal/mole logk: 1.43E+6
pH: 8.5 T: 26.85°C
pH: 8.5 T: 26.85°C