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

InChI Key InChIKey=DNTYYKAZXNGNBX-UHFFFAOYSA-N

PDB links: 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

  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   

TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM12579((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataKi:  303nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95B18PubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM12579((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataKi:  368nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95B18PubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM12579((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24M93Z8PubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM12579((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase was determinedMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24M93Z8PubMed
TargetInositol monophosphatase 1(Bos taurus)
TBA

Curated by ChEMBL
LigandPNGBDBM12579((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataIC50: 3.80E+4nMAssay Description:Concentration required for 50% inhibition of Inositol monophosphataseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8SSG
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM12579((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataIC50: 1.66E+4nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24M93Z8PubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM12579((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95B18PubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM12579((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95B18PubMed
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
University of Illinois at Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12579((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+5nMAssay Description:Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KH0MN1PubMed

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