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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'ferrer-casal' and Initial = 'm'   
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


(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


(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)
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)
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 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


(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


(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 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)
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


(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)
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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


(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)
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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)
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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)
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)
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n/an/a 69n/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)
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 74n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii recombinant FPPS expressed in Escherichia coli using [4-14C]IPP/DMAPP/GPP as substrate after 30 mins by scintillation...


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)
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 74n/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)
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 95n/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)
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 97n/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)
BDBM50426972
PNG
(CHEMBL2326227)
Show SMILES CCCCCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H18O6P2S/c1-2-3-4-5-16-6-7(14(8,9)10)15(11,12)13/h7H,2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 110n/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)
BDBM50444840
PNG
(CHEMBL3099280)
Show SMILES CCCCCCCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H29NO7P2/c1-2-3-4-5-6-7-8-9-10-13-11-12(14,21(15,16)17)22(18,19)20/h13-14H,2-11H2,1H3,(H2,15,16,17)(H2,18,19,20)
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n/an/a 125n/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)
BDBM50426973
PNG
(CHEMBL2326228)
Show SMILES CCCCCCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H20O6P2S/c1-2-3-4-5-6-17-7-8(15(9,10)11)16(12,13)14/h8H,2-7H2,1H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a 307n/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)
BDBM50426988
PNG
(CHEMBL2326225)
Show SMILES CCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C4H12O6P2S/c1-2-13-3-4(11(5,6)7)12(8,9)10/h4H,2-3H2,1H3,(H2,5,6,7)(H2,8,9,10)
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n/an/a 627n/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


(Trypanosoma cruzi)
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 789n/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


(Trypanosoma cruzi)
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)
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n/an/a 925n/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)
BDBM50426987
PNG
(CHEMBL2326224)
Show SMILES CCCCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO7P2/c1-2-3-4-5-6-7-10-8-9(11,18(12,13)14)19(15,16)17/h10-11H,2-8H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a>1.00E+3n/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)
BDBM50426987
PNG
(CHEMBL2326224)
Show SMILES CCCCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO7P2/c1-2-3-4-5-6-7-10-8-9(11,18(12,13)14)19(15,16)17/h10-11H,2-8H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a>1.00E+3n/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)
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 1.70E+3n/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)
BDBM50426988
PNG
(CHEMBL2326225)
Show SMILES CCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C4H12O6P2S/c1-2-13-3-4(11(5,6)7)12(8,9)10/h4H,2-3H2,1H3,(H2,5,6,7)(H2,8,9,10)
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n/an/a 1.83E+3n/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)
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 6.39E+3n/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)
BDBM50426979
PNG
(CHEMBL2326234)
Show SMILES CCCCCS(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H18O7P2S/c1-2-3-4-5-17(14)6-7(15(8,9)10)16(11,12)13/h7H,2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a>1.00E+4n/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)
BDBM50426973
PNG
(CHEMBL2326228)
Show SMILES CCCCCCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H20O6P2S/c1-2-3-4-5-6-17-7-8(15(9,10)11)16(12,13)14/h8H,2-7H2,1H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a>1.00E+4n/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


(Trypanosoma cruzi)
BDBM50426985
PNG
(CHEMBL2326221)
Show SMILES CCCCCS(=O)(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H18O8P2S/c1-2-3-4-5-18(14,15)6-7(16(8,9)10)17(11,12)13/h7H,2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a>1.00E+4n/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


(Trypanosoma cruzi)
BDBM50426984
PNG
(CHEMBL2326220)
Show SMILES CCCCCCCCCCS(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H28O7P2S/c1-2-3-4-5-6-7-8-9-10-22(19)11-12(20(13,14)15)21(16,17)18/h12H,2-11H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a>1.00E+4n/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


(Trypanosoma cruzi)
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>1.00E+4n/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


(Trypanosoma cruzi)
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>1.00E+4n/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


(Trypanosoma cruzi)
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>1.00E+4n/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)
BDBM50426980
PNG
(CHEMBL2326235)
Show SMILES CCCCCCS(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H20O7P2S/c1-2-3-4-5-6-18(15)7-8(16(9,10)11)17(12,13)14/h8H,2-7H2,1H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a>1.00E+4n/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)
BDBM50426980
PNG
(CHEMBL2326235)
Show SMILES CCCCCCS(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H20O7P2S/c1-2-3-4-5-6-18(15)7-8(16(9,10)11)17(12,13)14/h8H,2-7H2,1H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a>1.00E+4n/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


(Trypanosoma cruzi)
BDBM50426991
PNG
(CHEMBL2326223)
Show SMILES CCCCCC(C)NCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO6P2/c1-3-4-5-6-8(2)10-7-9(17(11,12)13)18(14,15)16/h8-10H,3-7H2,1-2H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a>1.00E+4n/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


(Trypanosoma cruzi)
BDBM50426987
PNG
(CHEMBL2326224)
Show SMILES CCCCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO7P2/c1-2-3-4-5-6-7-10-8-9(11,18(12,13)14)19(15,16)17/h10-11H,2-8H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a>1.00E+4n/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


(Trypanosoma cruzi)
BDBM50426979
PNG
(CHEMBL2326234)
Show SMILES CCCCCS(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H18O7P2S/c1-2-3-4-5-17(14)6-7(15(8,9)10)16(11,12)13/h7H,2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a>1.00E+4n/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


(Trypanosoma cruzi)
BDBM50426978
PNG
(CHEMBL2326233)
Show SMILES CCCCS(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H16O7P2S/c1-2-3-4-16(13)5-6(14(7,8)9)15(10,11)12/h6H,2-5H2,1H3,(H2,7,8,9)(H2,10,11,12)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/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


(Trypanosoma cruzi)
BDBM50426972
PNG
(CHEMBL2326227)
Show SMILES CCCCCSCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H18O6P2S/c1-2-3-4-5-16-6-7(14(8,9)10)15(11,12)13/h7H,2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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)
BDBM50426985
PNG
(CHEMBL2326221)
Show SMILES CCCCCS(=O)(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H18O8P2S/c1-2-3-4-5-18(14,15)6-7(16(8,9)10)17(11,12)13/h7H,2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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)
BDBM50426978
PNG
(CHEMBL2326233)
Show SMILES CCCCS(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H16O7P2S/c1-2-3-4-16(13)5-6(14(7,8)9)15(10,11)12/h6H,2-5H2,1H3,(H2,7,8,9)(H2,10,11,12)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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)
BDBM50426984
PNG
(CHEMBL2326220)
Show SMILES CCCCCCCCCCS(=O)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H28O7P2S/c1-2-3-4-5-6-7-8-9-10-22(19)11-12(20(13,14)15)21(16,17)18/h12H,2-11H2,1H3,(H2,13,14,15)(H2,16,17,18)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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)
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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