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Compile Data Set for Download or QSAR

Found 328 hits with Last Name = 'docampo' and Initial = 'r'   
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 pyrophosphate 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
240n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Trypanosoma brucei farnesyl pyrophosphate synthase activity


Bioorg Med Chem Lett 13: 3231-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ZK5G2R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50132606
PNG
((1-Phosphono-nonyl)-phosphonic acid | CHEMBL111695)
Show SMILES CCCCCCCCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H22O6P2/c1-2-3-4-5-6-7-8-9(16(10,11)12)17(13,14)15/h9H,2-8H2,1H3,(H2,10,11,12)(H2,13,14,15)
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PubMed
310n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 13: 3231-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ZK5G2R
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate 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


(Trypanosoma cruzi)
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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400n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS


Bioorg Med Chem 16: 3283-90 (2008)


Article DOI: 10.1016/j.bmc.2007.12.010
BindingDB Entry DOI: 10.7270/Q2JD4XPC
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50097889
PNG
((1-Hydroxy-1-phosphono-hexyl)-phosphonic acid | 1-...)
Show SMILES CCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H16O7P2/c1-2-3-4-5-6(7,14(8,9)10)15(11,12)13/h7H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)
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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


Bioorg Med Chem Lett 13: 3231-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ZK5G2R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50132608
PNG
((1-Phosphono-hexyl)-phosphonic acid | CHEMBL280463)
Show SMILES CCCCCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H16O6P2/c1-2-3-4-5-6(13(7,8)9)14(10,11)12/h6H,2-5H2,1H3,(H2,7,8,9)(H2,10,11,12)
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470n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 13: 3231-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ZK5G2R
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50132600
PNG
((1-Phosphono-heptyl)-phosphonic acid | CHEMBL32208...)
Show SMILES CCCCCCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H18O6P2/c1-2-3-4-5-6-7(14(8,9)10)15(11,12)13/h7H,2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)
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540n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 13: 3231-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ZK5G2R
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM25265
PNG
((1-hydroxy-1-phosphonononyl)phosphonic acid | CHEM...)
Show SMILES CCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
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590n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 13: 3231-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ZK5G2R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50132602
PNG
((1-Phosphono-pentyl)-phosphonic acid | CHEMBL32255...)
Show SMILES CCCCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H14O6P2/c1-2-3-4-5(12(6,7)8)13(9,10)11/h5H,2-4H2,1H3,(H2,6,7,8)(H2,9,10,11)
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790n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase


Bioorg Med Chem Lett 13: 3231-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ZK5G2R
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50097886
PNG
((1-Hydroxy-1-phosphono-octyl)-phosphonic acid | 1-...)
Show SMILES CCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H20O7P2/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15/h9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)
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980n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 13: 3231-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ZK5G2R
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50132605
PNG
((1-Phosphono-octyl)-phosphonic acid | CHEMBL324003)
Show SMILES CCCCCCCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H20O6P2/c1-2-3-4-5-6-7-8(15(9,10)11)16(12,13)14/h8H,2-7H2,1H3,(H2,9,10,11)(H2,12,13,14)
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1.88E+3n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 13: 3231-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ZK5G2R
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50336506
PNG
(2-(decyl(methyl)amino)ethane-1,1-diyldiphosphonic ...)
Show SMILES CCCCCCCCCCN(C)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H31NO6P2/c1-3-4-5-6-7-8-9-10-11-14(2)12-13(21(15,16)17)22(18,19)20/h13H,3-12H2,1-2H3,(H2,15,16,17)(H2,18,19,20)
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PubMed
3.30E+3n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of human GGPPS


Antimicrob Agents Chemother 54: 2987-93 (2010)

Checked by Author
Article DOI: 10.1128/AAC.00198-10
BindingDB Entry DOI: 10.7270/Q2PK0GF9
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50097884
PNG
((1-hydroxy-1-phosphono-butyl)-phosphonic acid | 1-...)
Show SMILES CCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C4H12O7P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h5H,2-3H2,1H3,(H2,6,7,8)(H2,9,10,11)
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5.04E+3n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 13: 3231-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ZK5G2R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM25259
PNG
(3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphono...)
Show SMILES CCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)
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PubMed
6.90E+3n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of human GGPPS


Antimicrob Agents Chemother 54: 2987-93 (2010)

Checked by Author
Article DOI: 10.1128/AAC.00198-10
BindingDB Entry DOI: 10.7270/Q2PK0GF9
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50336505
PNG
(2-(methyl(octyl)amino)ethane-1,1-diyldiphosphonic ...)
Show SMILES CCCCCCCCN(C)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H27NO6P2/c1-3-4-5-6-7-8-9-12(2)10-11(19(13,14)15)20(16,17)18/h11H,3-10H2,1-2H3,(H2,13,14,15)(H2,16,17,18)
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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of human GGPPS


Antimicrob Agents Chemother 54: 2987-93 (2010)

Checked by Author
Article DOI: 10.1128/AAC.00198-10
BindingDB Entry DOI: 10.7270/Q2PK0GF9
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50132599
PNG
((1-Phosphono-butyl)-phosphonic acid | CHEMBL112840)
Show SMILES CCCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C4H12O6P2/c1-2-3-4(11(5,6)7)12(8,9)10/h4H,2-3H2,1H3,(H2,5,6,7)(H2,8,9,10)
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1.70E+4n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)


Bioorg Med Chem Lett 13: 3231-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ZK5G2R
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM12576
PNG
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)
Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
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8.30E+6n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of human GGPPS


Antimicrob Agents Chemother 54: 2987-93 (2010)

Checked by Author
Article DOI: 10.1128/AAC.00198-10
BindingDB Entry DOI: 10.7270/Q2PK0GF9
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426981
PNG
(CHEMBL2326236)
Show SMILES CCCCCCCS(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H22O7P2S/c1-2-3-4-5-6-7-19(16)8-9(17(10,11)12)18(13,14)15/h9H,2-8H2,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 9n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC


Eur J Med Chem 60: 431-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.015
BindingDB Entry DOI: 10.7270/Q2ZG6TJH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50374762
PNG
(CHEMBL261432)
Show SMILES OP(O)(=O)C(CNC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)6-9-7-4-2-1-3-5-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 13n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS


Bioorg Med Chem 16: 3283-90 (2008)


Article DOI: 10.1016/j.bmc.2007.12.010
BindingDB Entry DOI: 10.7270/Q2JD4XPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426986
PNG
(CHEMBL2326222)
Show SMILES CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O6P2S/c1-3-4-5-6-7-8-9-20(2)10-11(18(12,13)14)19(15,16)17/h11H,3-10H2,1-2H3,(H3-,12,13,14,15,16,17)/p+1
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n/an/a 13n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC


Eur J Med Chem 60: 431-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.015
BindingDB Entry DOI: 10.7270/Q2ZG6TJH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426986
PNG
(CHEMBL2326222)
Show SMILES CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O6P2S/c1-3-4-5-6-7-8-9-20(2)10-11(18(12,13)14)19(15,16)17/h11H,3-10H2,1-2H3,(H3-,12,13,14,15,16,17)/p+1
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n/an/a 13n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting


Bioorg Med Chem 27: 3663-3673 (2019)


Article DOI: 10.1016/j.bmc.2019.07.004
BindingDB Entry DOI: 10.7270/Q2W380RM
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426982
PNG
(CHEMBL2326237)
Show SMILES CCCCCCCCS(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H24O7P2S/c1-2-3-4-5-6-7-8-20(17)9-10(18(11,12)13)19(14,15)16/h10H,2-9H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 16n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC


Eur J Med Chem 60: 431-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.015
BindingDB Entry DOI: 10.7270/Q2ZG6TJH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426977
PNG
(CHEMBL2326232)
Show SMILES CCCCCCCCCCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H28O6P2S/c1-2-3-4-5-6-7-8-9-10-21-11-12(19(13,14)15)20(16,17)18/h12H,2-11H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 21n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC


Eur J Med Chem 60: 431-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.015
BindingDB Entry DOI: 10.7270/Q2ZG6TJH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426977
PNG
(CHEMBL2326232)
Show SMILES CCCCCCCCCCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H28O6P2S/c1-2-3-4-5-6-7-8-9-10-21-11-12(19(13,14)15)20(16,17)18/h12H,2-11H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 21n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting


Bioorg Med Chem 27: 3663-3673 (2019)


Article DOI: 10.1016/j.bmc.2019.07.004
BindingDB Entry DOI: 10.7270/Q2W380RM
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426975
PNG
(CHEMBL2326230)
Show SMILES CCCCCCCCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H24O6P2S/c1-2-3-4-5-6-7-8-19-9-10(17(11,12)13)18(14,15)16/h10H,2-9H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 24n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC


Eur J Med Chem 60: 431-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.015
BindingDB Entry DOI: 10.7270/Q2ZG6TJH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426976
PNG
(CHEMBL2326231)
Show SMILES CCCCCCCCCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O6P2S/c1-2-3-4-5-6-7-8-9-20-10-11(18(12,13)14)19(15,16)17/h11H,2-10H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 25n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC


Eur J Med Chem 60: 431-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.015
BindingDB Entry DOI: 10.7270/Q2ZG6TJH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM12576
PNG
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)
Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 27n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM12576
PNG
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)
Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 27n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC


Eur J Med Chem 60: 431-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.015
BindingDB Entry DOI: 10.7270/Q2ZG6TJH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50521859
PNG
(CHEMBL4460779)
Show SMILES CCCCCCCCCNCC(F)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26FNO6P2/c1-2-3-4-5-6-7-8-9-13-10-11(12,20(14,15)16)21(17,18)19/h13H,2-10H2,1H3,(H2,14,15,16)(H2,17,18,19)
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n/an/a 34n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting


Bioorg Med Chem 27: 3663-3673 (2019)


Article DOI: 10.1016/j.bmc.2019.07.004
BindingDB Entry DOI: 10.7270/Q2W380RM
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50444839
PNG
(CHEMBL3099275)
Show SMILES CCCCCCCCC(F)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H21FO6P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 35n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting


Bioorg Med Chem 27: 3663-3673 (2019)


Article DOI: 10.1016/j.bmc.2019.07.004
BindingDB Entry DOI: 10.7270/Q2W380RM
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50444839
PNG
(CHEMBL3099275)
Show SMILES CCCCCCCCC(F)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H21FO6P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 35n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS


Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50374757
PNG
(CHEMBL408745)
Show SMILES CCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H15NO6P2/c1-2-3-6-4-5(13(7,8)9)14(10,11)12/h5-6H,2-4H2,1H3,(H2,7,8,9)(H2,10,11,12)
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n/an/a 38n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS


Bioorg Med Chem 16: 3283-90 (2008)


Article DOI: 10.1016/j.bmc.2007.12.010
BindingDB Entry DOI: 10.7270/Q2JD4XPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50444843
PNG
(CHEMBL3099279)
Show SMILES CCCCCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H25NO7P2/c1-2-3-4-5-6-7-8-11-9-10(12,19(13,14)15)20(16,17)18/h11-12H,2-9H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 39n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting


Bioorg Med Chem 27: 3663-3673 (2019)


Article DOI: 10.1016/j.bmc.2019.07.004
BindingDB Entry DOI: 10.7270/Q2W380RM
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50444843
PNG
(CHEMBL3099279)
Show SMILES CCCCCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H25NO7P2/c1-2-3-4-5-6-7-8-11-9-10(12,19(13,14)15)20(16,17)18/h11-12H,2-9H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 39n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS


Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50426986
PNG
(CHEMBL2326222)
Show SMILES CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O6P2S/c1-3-4-5-6-7-8-9-20(2)10-11(18(12,13)14)19(15,16)17/h11H,3-10H2,1-2H3,(H3-,12,13,14,15,16,17)/p+1
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n/an/a 40n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting


Bioorg Med Chem 27: 3663-3673 (2019)


Article DOI: 10.1016/j.bmc.2019.07.004
BindingDB Entry DOI: 10.7270/Q2W380RM
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50426986
PNG
(CHEMBL2326222)
Show SMILES CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O6P2S/c1-3-4-5-6-7-8-9-20(2)10-11(18(12,13)14)19(15,16)17/h11H,3-10H2,1-2H3,(H3-,12,13,14,15,16,17)/p+1
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n/an/a 40n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC


Eur J Med Chem 60: 431-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.015
BindingDB Entry DOI: 10.7270/Q2ZG6TJH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426990
PNG
(CHEMBL2326226)
Show SMILES CCCCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H16O6P2S/c1-2-3-4-15-5-6(13(7,8)9)14(10,11)12/h6H,2-5H2,1H3,(H2,7,8,9)(H2,10,11,12)
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n/an/a 48n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC


Eur J Med Chem 60: 431-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.015
BindingDB Entry DOI: 10.7270/Q2ZG6TJH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50444842
PNG
(CHEMBL3099278)
Show SMILES CCCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H21NO7P2/c1-2-3-4-5-6-9-7-8(10,17(11,12)13)18(14,15)16/h9-10H,2-7H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 51n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS


Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50521859
PNG
(CHEMBL4460779)
Show SMILES CCCCCCCCCNCC(F)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26FNO6P2/c1-2-3-4-5-6-7-8-9-13-10-11(12,20(14,15)16)21(17,18)19/h13H,2-10H2,1H3,(H2,14,15,16)(H2,17,18,19)
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n/an/a 51n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting


Bioorg Med Chem 27: 3663-3673 (2019)


Article DOI: 10.1016/j.bmc.2019.07.004
BindingDB Entry DOI: 10.7270/Q2W380RM
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426983
PNG
(CHEMBL2326238)
Show SMILES CCCCCCCCCS(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O7P2S/c1-2-3-4-5-6-7-8-9-21(18)10-11(19(12,13)14)20(15,16)17/h11H,2-10H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 56n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC


Eur J Med Chem 60: 431-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.015
BindingDB Entry DOI: 10.7270/Q2ZG6TJH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341918
PNG
((2-heptylamino-1-phosphono-ethyl)-phosphonic acid ...)
Show SMILES CCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10-8-9(17(11,12)13)18(14,15)16/h9-10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 58n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting


Bioorg Med Chem 27: 3663-3673 (2019)


Article DOI: 10.1016/j.bmc.2019.07.004
BindingDB Entry DOI: 10.7270/Q2W380RM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341918
PNG
((2-heptylamino-1-phosphono-ethyl)-phosphonic acid ...)
Show SMILES CCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10-8-9(17(11,12)13)18(14,15)16/h9-10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 58n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS


Bioorg Med Chem 16: 3283-90 (2008)


Article DOI: 10.1016/j.bmc.2007.12.010
BindingDB Entry DOI: 10.7270/Q2JD4XPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341918
PNG
((2-heptylamino-1-phosphono-ethyl)-phosphonic acid ...)
Show SMILES CCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10-8-9(17(11,12)13)18(14,15)16/h9-10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 58n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50444844
PNG
(CHEMBL3099276)
Show SMILES CCCCCCCCCC(F)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H23FO6P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting


Bioorg Med Chem 27: 3663-3673 (2019)


Article DOI: 10.1016/j.bmc.2019.07.004
BindingDB Entry DOI: 10.7270/Q2W380RM
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50444844
PNG
(CHEMBL3099276)
Show SMILES CCCCCCCCCC(F)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H23FO6P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS


Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50521851
PNG
(CHEMBL4540565)
Show SMILES CCCNCC(F)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H14FNO6P2/c1-2-3-7-4-5(6,14(8,9)10)15(11,12)13/h7H,2-4H2,1H3,(H2,8,9,10)(H2,11,12,13)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting


Bioorg Med Chem 27: 3663-3673 (2019)


Article DOI: 10.1016/j.bmc.2019.07.004
BindingDB Entry DOI: 10.7270/Q2W380RM
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426989
PNG
(CHEMBL2096957)
Show SMILES CCCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H14O6P2S/c1-2-3-14-4-5(12(6,7)8)13(9,10)11/h5H,2-4H2,1H3,(H2,6,7,8)(H2,9,10,11)
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC


Eur J Med Chem 60: 431-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.015
BindingDB Entry DOI: 10.7270/Q2ZG6TJH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50444841
PNG
(CHEMBL3099277)
Show SMILES CCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H19NO7P2/c1-2-3-4-5-8-6-7(9,16(10,11)12)17(13,14)15/h8-9H,2-6H2,1H3,(H2,10,11,12)(H2,13,14,15)
UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS


Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50341912
PNG
(1-[(n-Dec-1-ylamino)ethyl]1,1-bisphosphonic acid |...)
Show SMILES CCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H29NO6P2/c1-2-3-4-5-6-7-8-9-10-13-11-12(20(14,15)16)21(17,18)19/h12-13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)
UniProtKB/TrEMBL

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PC sid
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Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50426974
PNG
(CHEMBL2326229)
Show SMILES CCCCCCCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H22O6P2S/c1-2-3-4-5-6-7-18-8-9(16(10,11)12)17(13,14)15/h9H,2-8H2,1H3,(H2,10,11,12)(H2,13,14,15)
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting


Bioorg Med Chem 27: 3663-3673 (2019)


Article DOI: 10.1016/j.bmc.2019.07.004
BindingDB Entry DOI: 10.7270/Q2W380RM
More data for this
Ligand-Target Pair
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