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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'ferella' 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


(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 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


(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


(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


(Toxoplasma gondii)
BDBM50374766
PNG
(CHEMBL409012)
Show SMILES CCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H19NO6P2/c1-2-3-4-5-8-6-7(15(9,10)11)16(12,13)14/h7-8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a 80n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 diphosphate synthase


(Toxoplasma gondii)
BDBM50341916
PNG
(1-[(n-oct-1-ylamino)ethyl]-1,1-bisphosphonic acid ...)
Show SMILES CCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H25NO6P2/c1-2-3-4-5-6-7-8-11-9-10(18(12,13)14)19(15,16)17/h10-11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 87n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 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 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 diphosphate synthase


(Toxoplasma gondii)
BDBM50374761
PNG
(CHEMBL262598)
Show SMILES CCC(C)NCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-3-5(2)7-4-6(14(8,9)10)15(11,12)13/h5-7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 112n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 diphosphate synthase


(Toxoplasma gondii)
BDBM50341917
PNG
(1-[(n-hex-1-ylamino)ethyl]-1,1-bisphosphonic acid ...)
Show SMILES CCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-9-7-8(16(10,11)12)17(13,14)15/h8-9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 137n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 diphosphate synthase


(Toxoplasma gondii)
BDBM50374758
PNG
(CHEMBL259786)
Show SMILES OP(O)(=O)C(CNN1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C7H18N2O6P2/c10-16(11,12)7(17(13,14)15)6-8-9-4-2-1-3-5-9/h7-8H,1-6H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 165n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 diphosphate synthase


(Toxoplasma gondii)
BDBM50374760
PNG
(CHEMBL258540)
Show SMILES CC(C)CNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-5(2)3-7-4-6(14(8,9)10)15(11,12)13/h5-7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 181n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 diphosphate synthase


(Toxoplasma gondii)
BDBM50374767
PNG
(CHEMBL406087)
Show SMILES CCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-2-3-4-7-5-6(14(8,9)10)15(11,12)13/h6-7H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 206n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341916
PNG
(1-[(n-oct-1-ylamino)ethyl]-1,1-bisphosphonic acid ...)
Show SMILES CCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H25NO6P2/c1-2-3-4-5-6-7-8-11-9-10(18(12,13)14)19(15,16)17/h10-11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 252n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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 diphosphate synthase


(Toxoplasma gondii)
BDBM50374764
PNG
(CHEMBL407221)
Show SMILES CC(C)NCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H15NO6P2/c1-4(2)6-3-5(13(7,8)9)14(10,11)12/h4-6H,3H2,1-2H3,(H2,7,8,9)(H2,10,11,12)
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n/an/a 253n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 diphosphate synthase


(Toxoplasma gondii)
BDBM50374765
PNG
(CHEMBL261562)
Show SMILES CC(C)CCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H19NO6P2/c1-6(2)3-4-8-5-7(15(9,10)11)16(12,13)14/h6-8H,3-5H2,1-2H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a 275n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 diphosphate synthase


(Toxoplasma gondii)
BDBM50374763
PNG
(CHEMBL405827)
Show SMILES CC(C)(C)NCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-6(2,3)7-4-5(14(8,9)10)15(11,12)13/h5,7H,4H2,1-3H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 286n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 diphosphate synthase


(Trypanosoma cruzi)
BDBM50374758
PNG
(CHEMBL259786)
Show SMILES OP(O)(=O)C(CNN1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C7H18N2O6P2/c10-16(11,12)7(17(13,14)15)6-8-9-4-2-1-3-5-9/h7-8H,1-6H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 287n/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 diphosphate synthase


(Toxoplasma gondii)
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 298n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 diphosphate synthase


(Toxoplasma gondii)
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 337n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 diphosphate synthase


(Toxoplasma gondii)
BDBM50374759
PNG
(CHEMBL258541)
Show SMILES OP(O)(=O)C(CNN1CCCC1)P(O)(O)=O
Show InChI InChI=1S/C6H16N2O6P2/c9-15(10,11)6(16(12,13)14)5-7-8-3-1-2-4-8/h6-7H,1-5H2,(H2,9,10,11)(H2,12,13,14)
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n/an/a 361n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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 diphosphate synthase


(Trypanosoma cruzi)
BDBM50374765
PNG
(CHEMBL261562)
Show SMILES CC(C)CCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H19NO6P2/c1-6(2)3-4-8-5-7(15(9,10)11)16(12,13)14/h6-8H,3-5H2,1-2H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a 420n/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 diphosphate synthase


(Trypanosoma cruzi)
BDBM50341917
PNG
(1-[(n-hex-1-ylamino)ethyl]-1,1-bisphosphonic acid ...)
Show SMILES CCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-9-7-8(16(10,11)12)17(13,14)15/h8-9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 490n/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)
BDBM50374760
PNG
(CHEMBL258540)
Show SMILES CC(C)CNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-5(2)3-7-4-6(14(8,9)10)15(11,12)13/h5-7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
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PubMed
n/an/a 515n/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 diphosphate synthase


(Trypanosoma cruzi)
BDBM50374759
PNG
(CHEMBL258541)
Show SMILES OP(O)(=O)C(CNN1CCCC1)P(O)(O)=O
Show InChI InChI=1S/C6H16N2O6P2/c9-15(10,11)6(16(12,13)14)5-7-8-3-1-2-4-8/h6-7H,1-5H2,(H2,9,10,11)(H2,12,13,14)
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n/an/a 760n/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
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50374764
PNG
(CHEMBL407221)
Show SMILES CC(C)NCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H15NO6P2/c1-4(2)6-3-5(13(7,8)9)14(10,11)12/h4-6H,3H2,1-2H3,(H2,7,8,9)(H2,10,11,12)
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n/an/a 761n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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 diphosphate synthase


(Trypanosoma cruzi)
BDBM50374761
PNG
(CHEMBL262598)
Show SMILES CCC(C)NCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-3-5(2)7-4-6(14(8,9)10)15(11,12)13/h5-7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 944n/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 diphosphate synthase


(Trypanosoma cruzi)
BDBM50341916
PNG
(1-[(n-oct-1-ylamino)ethyl]-1,1-bisphosphonic acid ...)
Show SMILES CCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H25NO6P2/c1-2-3-4-5-6-7-8-11-9-10(18(12,13)14)19(15,16)17/h10-11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 1.01E+3n/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 diphosphate synthase


(Trypanosoma cruzi)
BDBM50374763
PNG
(CHEMBL405827)
Show SMILES CC(C)(C)NCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-6(2,3)7-4-5(14(8,9)10)15(11,12)13/h5,7H,4H2,1-3H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 1.21E+3n/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
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341917
PNG
(1-[(n-hex-1-ylamino)ethyl]-1,1-bisphosphonic acid ...)
Show SMILES CCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-9-7-8(16(10,11)12)17(13,14)15/h8-9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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 diphosphate synthase


(Trypanosoma cruzi)
BDBM50374764
PNG
(CHEMBL407221)
Show SMILES CC(C)NCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H15NO6P2/c1-4(2)6-3-5(13(7,8)9)14(10,11)12/h4-6H,3H2,1-2H3,(H2,7,8,9)(H2,10,11,12)
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n/an/a 1.40E+3n/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
Solanesyl 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 1.69E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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 diphosphate synthase


(Trypanosoma cruzi)
BDBM50374766
PNG
(CHEMBL409012)
Show SMILES CCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H19NO6P2/c1-2-3-4-5-8-6-7(15(9,10)11)16(12,13)14/h7-8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a 1.84E+3n/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)
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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n/an/a 1.94E+3n/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
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50374761
PNG
(CHEMBL262598)
Show SMILES CCC(C)NCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-3-5(2)7-4-6(14(8,9)10)15(11,12)13/h5-7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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 diphosphate synthase


(Trypanosoma cruzi)
BDBM50374767
PNG
(CHEMBL406087)
Show SMILES CCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-2-3-4-7-5-6(14(8,9)10)15(11,12)13/h6-7H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 2.28E+3n/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
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50374760
PNG
(CHEMBL258540)
Show SMILES CC(C)CNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-5(2)3-7-4-6(14(8,9)10)15(11,12)13/h5-7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 3.49E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50374759
PNG
(CHEMBL258541)
Show SMILES OP(O)(=O)C(CNN1CCCC1)P(O)(O)=O
Show InChI InChI=1S/C6H16N2O6P2/c9-15(10,11)6(16(12,13)14)5-7-8-3-1-2-4-8/h6-7H,1-5H2,(H2,9,10,11)(H2,12,13,14)
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n/an/a 8.28E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50374767
PNG
(CHEMBL406087)
Show SMILES CCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-2-3-4-7-5-6(14(8,9)10)15(11,12)13/h6-7H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 8.96E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50374758
PNG
(CHEMBL259786)
Show SMILES OP(O)(=O)C(CNN1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C7H18N2O6P2/c10-16(11,12)7(17(13,14)15)6-8-9-4-2-1-3-5-9/h7-8H,1-6H2,(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 SPPS


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
Solanesyl 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 1.10E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50374766
PNG
(CHEMBL409012)
Show SMILES CCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H19NO6P2/c1-2-3-4-5-8-6-7(15(9,10)11)16(12,13)14/h7-8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a 1.68E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50374763
PNG
(CHEMBL405827)
Show SMILES CC(C)(C)NCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H17NO6P2/c1-6(2,3)7-4-5(14(8,9)10)15(11,12)13/h5,7H,4H2,1-3H3,(H2,8,9,10)(H2,11,12,13)
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n/an/a 5.98E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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
Solanesyl 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 7.74E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50374765
PNG
(CHEMBL261562)
Show SMILES CC(C)CCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H19NO6P2/c1-6(2)3-4-8-5-7(15(9,10)11)16(12,13)14/h6-8H,3-5H2,1-2H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a 1.47E+5n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS


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