BDBM12579 (1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic acid::Bisphosphonate 4::CHEMBL56556

SMILES OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O

InChI Key InChIKey=DNTYYKAZXNGNBX-UHFFFAOYSA-N

Data  3 KI  6 IC50  2 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 12579   

TargetGeranylgeranyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12579(CHEMBL56556 | (1-hydroxy-2-phenyl-1-phosphonoethyl...)
Affinity DataIC50: 2.20E+5nMAssay Description:Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12579(CHEMBL56556 | (1-hydroxy-2-phenyl-1-phosphonoethyl...)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetInositol monophosphatase 1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM12579(CHEMBL56556 | (1-hydroxy-2-phenyl-1-phosphonoethyl...)
Affinity DataIC50: 3.80E+4nMAssay Description:Concentration required for 50% inhibition of Inositol monophosphataseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12579(CHEMBL56556 | (1-hydroxy-2-phenyl-1-phosphonoethyl...)
Affinity DataIC50: 1.63E+3nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12579(CHEMBL56556 | (1-hydroxy-2-phenyl-1-phosphonoethyl...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12579(CHEMBL56556 | (1-hydroxy-2-phenyl-1-phosphonoethyl...)
Affinity DataIC50: 1.66E+4nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME (M)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12579(CHEMBL56556 | (1-hydroxy-2-phenyl-1-phosphonoethyl...)
Affinity DataKi:  303nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12579(CHEMBL56556 | (1-hydroxy-2-phenyl-1-phosphonoethyl...)
Affinity DataKi:  368nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12579(CHEMBL56556 | (1-hydroxy-2-phenyl-1-phosphonoethyl...)
Affinity DataKi:  1.60E+3nMAssay Description:Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 12579   

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

SyringePNGBDBM12579(CHEMBL56556 | (1-hydroxy-2-phenyl-1-phosphonoethyl...)
ITC DataΔG°: -7.45kcal/mole −TΔS°: 2.53kcal/mole ΔH°: -9.96kcal/mole logk: 3.13E+5
pH: 7.4 T: 26.85°C 
CellFarnesyl Diphosphate Synthase (FPPS)(Trypanosoma brucei)
University of Illinois At Urbana-Champaign

SyringePNGBDBM12579(CHEMBL56556 | (1-hydroxy-2-phenyl-1-phosphonoethyl...)
ITC DataΔG°: -7.47kcal/mole −TΔS°: 2.77kcal/mole ΔH°: -10.2kcal/mole logk: 3.20E+5
pH: 8.5 T: 26.85°C