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PubMed code 16143525

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM25298
PNG
((1-hydroxy-1-phosphonoheptyl)phosphonic acid | CHE...)
Show SMILES CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)
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Article
PubMed
400n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 15: 4685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.060
BindingDB Entry DOI: 10.7270/Q21Z43ZW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50173056
PNG
((1-Amino-1-phosphono-hexyl)-phosphonic acid | CHEM...)
Show SMILES CCCCCC(N)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-2-3-4-5-6(7,14(8,9)10)15(11,12)13/h2-5,7H2,1H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 382n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 15: 4685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.060
BindingDB Entry DOI: 10.7270/Q21Z43ZW
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM25298
PNG
((1-hydroxy-1-phosphonoheptyl)phosphonic acid | CHE...)
Show SMILES CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)
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PubMed
n/an/a 1.94E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 15: 4685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.060
BindingDB Entry DOI: 10.7270/Q21Z43ZW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50173058
PNG
((1-Amino-1-phosphono-heptyl)-phosphonic acid | CHE...)
Show SMILES CCCCCCC(N)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H19NO6P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h2-6,8H2,1H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a 3.57E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 15: 4685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.060
BindingDB Entry DOI: 10.7270/Q21Z43ZW
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50173055
PNG
((1-Amino-1-phosphono-pentyl)-phosphonic acid | CHE...)
Show SMILES CCCCC(N)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H15NO6P2/c1-2-3-4-5(6,13(7,8)9)14(10,11)12/h2-4,6H2,1H3,(H2,7,8,9)(H2,10,11,12)
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PubMed
n/an/a 3.91E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 15: 4685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.060
BindingDB Entry DOI: 10.7270/Q21Z43ZW
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50173053
PNG
((1-Amino-1-phosphono-butyl)-phosphonic acid | CHEM...)
Show SMILES CCCC(N)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C4H13NO6P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h2-3,5H2,1H3,(H2,6,7,8)(H2,9,10,11)
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PubMed
n/an/a 3.08E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 15: 4685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.060
BindingDB Entry DOI: 10.7270/Q21Z43ZW
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50173054
PNG
((1-Amino-1-phosphono-ethyl)-phosphonic acid | CHEM...)
Show SMILES CC(N)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C2H9NO6P2/c1-2(3,10(4,5)6)11(7,8)9/h3H2,1H3,(H2,4,5,6)(H2,7,8,9)
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PubMed
n/an/a 6.67E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 15: 4685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.060
BindingDB Entry DOI: 10.7270/Q21Z43ZW
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50173057
PNG
((1-Amino-1-phosphono-propyl)-phosphonic acid | CHE...)
Show SMILES CCC(N)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C3H11NO6P2/c1-2-3(4,11(5,6)7)12(8,9)10/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10)
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Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 15: 4685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.060
BindingDB Entry DOI: 10.7270/Q21Z43ZW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%