BDBM12581 (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid::Bisphosphonate 6::CHEMBL834::JMC515594 Compound 62

SMILES NCCC(O)(P(O)(O)=O)P(O)(O)=O

InChI Key InChIKey=WRUUGTRCQOWXEG-UHFFFAOYSA-N

Data  5 KI  9 IC50  1 ITC

PDB links: 9 PDB IDs match this monomer.

  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 = 12581   

TargetFarnesyl pyrophosphate synthase(Human)
Wroclaw University of Technology

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataIC50: 200nMAssay Description:Inhibition of recombinant human FPPS expressed in Escherichia coli by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGeranylgeranyl pyrophosphate synthase(Human)
National Taiwan University

LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataIC50: 1.82E+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
In DepthDetails Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
Wroclaw University of Technology

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataIC50: 200nMAssay Description:Inhibitory activity against the human recombinant FPPSase (Farnesyl diphosphate) enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGeranylgeranyl pyrophosphate synthase(Human)
National Taiwan University

LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataIC50: 1.80E+5nMAssay Description:Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
Wroclaw University of Technology

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase was determinedMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
Wroclaw University of Technology

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataIC50: 1.93E+3nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
Wroclaw University of Technology

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataIC50: 353nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
Wroclaw University of Technology

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataIC50: 1.86E+3nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME (M)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
Wroclaw University of Technology

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataIC50: 500nMAssay Description:Inhibition of human recombinant FPP synthase expressed in Escherichia coli S100 using FPP and IPP as substrates preincubated for 15 mins followed by ...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
Wroclaw University of Technology

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataKi:  55.9nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
Wroclaw University of Technology

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataKi:  180nMAssay Description:Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPolyprenyl synthetase family protein(Leishmania donovani)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataKi:  190nMAssay Description:Binding affinity towards Farnesyl diphosphate synthase from leishmania majorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
Wroclaw University of Technology

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataKi:  331nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHypoxanthine-guanine phosphoribosyltransferase(Trypanosoma brucei brucei)
Universidad De Buenos Aires

Curated by ChEMBL
LigandPNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
Affinity DataKi:  5.06E+4nMAssay Description:Inhibition of hypoxanthine-guanine phosphoribosyltransferase (TcHPRT)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 12581   

CellFarnesyl Diphosphate Synthase (FPPS)(Trypanosoma brucei)
University of Illinois At Urbana-Champaign

SyringePNGBDBM12581(JMC515594 Compound 62 | (3-amino-1-hydroxy-1-phosp...)
ITC DataΔG°: -8.84kcal/mole −TΔS°: -9.35kcal/mole ΔH°: 0.479kcal/mole logk: 3.12E+6
pH: 7.4 T: 26.85°C