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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'flessner' and Initial = 'rm'   
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
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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n/an/a 110n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50115115
PNG
((Cyclohexylamino-phosphono-methyl)-phosphonic acid...)
Show SMILES OP(O)(O)C(=NC1CCCCC1)P(O)(O)=O |w:5.5|
Show InChI InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6/h6,9-11,15H,1-5H2,(H2,12,13,14)
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n/an/a 160n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135818
PNG
((pyridin-3-ylamino)methylenediphosphonic acid | 3-...)
Show SMILES OP(O)(=O)C(Nc1cccnc1)P(O)(O)=O
Show InChI InChI=1S/C6H10N2O6P2/c9-15(10,11)6(16(12,13)14)8-5-2-1-3-7-4-5/h1-4,6,8H,(H2,9,10,11)(H2,12,13,14)
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n/an/a 160n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
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 170n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50115106
PNG
(2-(pyridin-2-ylamino)ethane-1,1-diyldiphosphonic a...)
Show SMILES OP(O)(=O)C(CNc1ccccn1)P(O)(O)=O
Show InChI InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)
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n/an/a 170n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Squalene synthase


(Homo sapiens (Human))
BDBM50115109
PNG
((5-chloropyridin-2-ylamino)methylenediphosphonic a...)
Show SMILES OP(O)(=O)C(Nc1ccc(Cl)cn1)P(O)(O)=O
Show InChI InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)
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n/an/a 240n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl-diphosphatesynthase (FPP synthase)


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135839
PNG
(CHEMBL55464 | [1-Hydroxy-3-(4-phenyl-butylamino)-1...)
Show SMILES OC(CCNCCCCc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H23NO7P2/c15-13(22(16,17)18,23(19,20)21)9-11-14-10-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,14-15H,4-5,8-11H2,(H2,16,17,18)(H2,19,20,21)
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n/an/a 250n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50117260
PNG
(1-hydroxy-3-(methyl(phenethyl)amino)propane-1,1-di...)
Show SMILES CN(CCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H21NO7P2/c1-13(9-7-11-5-3-2-4-6-11)10-8-12(14,21(15,16)17)22(18,19)20/h2-6,14H,7-10H2,1H3,(H2,15,16,17)(H2,18,19,20)
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n/an/a 310n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50115110
PNG
((Pentylamino-phosphono-methyl)-phosphonic acid | (...)
Show SMILES CCCCCN=C(P(O)(O)O)P(O)(O)=O |w:5.4|
Show InChI InChI=1S/C6H17NO6P2/c1-2-3-4-5-7-6(14(8,9)10)15(11,12)13/h8-10,14H,2-5H2,1H3,(H2,11,12,13)
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n/an/a 350n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135833
PNG
((2-methylbutyl)aminomethylene-1,1-bisphosphonate |...)
Show SMILES CCC(C)CN=C(P(O)(O)O)P(O)(O)=O |w:5.4|
Show InChI InChI=1S/C6H17NO6P2/c1-3-5(2)4-7-6(14(8,9)10)15(11,12)13/h5,8-10,14H,3-4H2,1-2H3,(H2,11,12,13)
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n/an/a 360n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135835
PNG
((isoquinolin-1-ylamino)methylenediphosphonic acid ...)
Show SMILES OP(O)(=O)C(Nc1nccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)
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n/an/a 430n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50138041
PNG
(1-hydroxy-3-(methyl(2-phenoxyethyl)amino)propane-1...)
Show SMILES CN(CCOc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H21NO8P2/c1-13(9-10-21-11-5-3-2-4-6-11)8-7-12(14,22(15,16)17)23(18,19)20/h2-6,14H,7-10H2,1H3,(H2,15,16,17)(H2,18,19,20)
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n/an/a 450n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50138039
PNG
(CHEMBL55988 | [3-(Cyclohexyl-methyl-amino)-1-hydro...)
Show SMILES CN(CCC(O)(P(O)(O)=O)P(O)(O)=O)C1CCCCC1
Show InChI InChI=1S/C10H23NO7P2/c1-11(9-5-3-2-4-6-9)8-7-10(12,19(13,14)15)20(16,17)18/h9,12H,2-8H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 480n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM25290
PNG
(CHEMBL56073 | bisphosphonate, 39 | {1-hydroxy-3-[m...)
Show SMILES CN(CCCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)
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n/an/a 490n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50117257
PNG
(1-hydroxy-3-(methyl(3-phenylpropyl)amino)propane-1...)
Show SMILES CN(CCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H23NO7P2/c1-14(10-5-8-12-6-3-2-4-7-12)11-9-13(15,22(16,17)18)23(19,20)21/h2-4,6-7,15H,5,8-11H2,1H3,(H2,16,17,18)(H2,19,20,21)
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n/an/a 500n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135824
PNG
((Bis-phosphono-methyl)-cyclopentyl-ammonium | (Cyc...)
Show SMILES OP(O)(O)C(=NC1CCCC1)P(O)(O)=O |w:5.5|
Show InChI InChI=1S/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)7-5-3-1-2-4-5/h5,8-10,14H,1-4H2,(H2,11,12,13)
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n/an/a 540n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50115112
PNG
((Bis-phosphono-methyl)-(3-methyl-butyl)-ammonium |...)
Show SMILES CC(C)CCN=C(P(O)(O)O)P(O)(O)=O |w:5.4|
Show InChI InChI=1S/C6H17NO6P2/c1-5(2)3-4-7-6(14(8,9)10)15(11,12)13/h5,8-10,14H,3-4H2,1-2H3,(H2,11,12,13)
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n/an/a 830n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135829
PNG
((Bis-phosphono-methyl)-nonyl-ammonium | (Nonylamin...)
Show SMILES CCCCCCCCCN=C(P(O)(O)O)P(O)(O)=O |w:9.8|
Show InChI InChI=1S/C10H25NO6P2/c1-2-3-4-5-6-7-8-9-11-10(18(12,13)14)19(15,16)17/h12-14,18H,2-9H2,1H3,(H2,15,16,17)
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n/an/a 900n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50113288
PNG
((Octylamino-phosphono-methyl)-phosphonic acid | (o...)
Show SMILES CCCCCCCCN=C(P(O)(O)O)P(O)(O)=O |w:8.7|
Show InChI InChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-8-10-9(17(11,12)13)18(14,15)16/h11-13,17H,2-8H2,1H3,(H2,14,15,16)
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n/an/a 1.06E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135816
PNG
(CHEMBL54480 | [(1-Methyl-hexylamino)-phosphono-met...)
Show SMILES CCCCCC(C)N=C(P(O)(O)O)P(O)(O)=O |w:7.6|
Show InChI InChI=1S/C8H21NO6P2/c1-3-4-5-6-7(2)9-8(16(10,11)12)17(13,14)15/h7,10-12,16H,3-6H2,1-2H3,(H2,13,14,15)
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n/an/a 1.14E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Squalene synthase


(Homo sapiens (Human))
BDBM50135832
PNG
((6-methylpyridin-2-ylamino)methylenediphosphonic a...)
Show SMILES Cc1cccc(NC(P(O)(O)=O)P(O)(O)=O)n1
Show InChI InChI=1S/C7H12N2O6P2/c1-5-3-2-4-6(8-5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.29E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl-diphosphatesynthase (FPP synthase)


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Squalene synthase


(Homo sapiens (Human))
BDBM50138020
PNG
(CHEMBL300532 | [(6-Bromo-pyridin-3-ylamino)-phosph...)
Show SMILES OP(O)(=O)C(Nc1ccc(Br)nc1)P(O)(O)=O
Show InChI InChI=1S/C6H9BrN2O6P2/c7-5-2-1-4(3-8-5)9-6(16(10,11)12)17(13,14)15/h1-3,6,9H,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl-diphosphatesynthase (FPP synthase)


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50113290
PNG
((Hexylamino-phosphono-methyl)-phosphonic acid | (h...)
Show SMILES CCCCCCN=C(P(O)(O)O)P(O)(O)=O |w:6.5|
Show InChI InChI=1S/C7H19NO6P2/c1-2-3-4-5-6-8-7(15(9,10)11)16(12,13)14/h9-11,15H,2-6H2,1H3,(H2,12,13,14)
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n/an/a 1.72E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM25269
PNG
((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...)
Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 2.37E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135830
PNG
((Bis-phosphono-methyl)-cyclooctyl-ammonium | (Cycl...)
Show SMILES OP(O)(O)C(=NC1CCCCCCC1)P(O)(O)=O |w:5.5|
Show InChI InChI=1S/C9H21NO6P2/c11-17(12,13)9(18(14,15)16)10-8-6-4-2-1-3-5-7-8/h8,11-13,17H,1-7H2,(H2,14,15,16)
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n/an/a 2.44E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50113286
PNG
((1-Hydroxy-1-phosphono-undecyl)-phosphonic acid | ...)
Show SMILES CCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O7P2/c1-2-3-4-5-6-7-8-9-10-11(12,19(13,14)15)20(16,17)18/h12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 3.42E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
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 5.88E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135822
PNG
((1-Hydroxy-1-phosphono-hexadecyl)-phosphonic acid ...)
Show SMILES CCCCCCCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C16H36O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17,24(18,19)20)25(21,22)23/h17H,2-15H2,1H3,(H2,18,19,20)(H2,21,22,23)
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135828
PNG
((2-Butyl-1-hydroxy-1-phosphono-octyl)-phosphonic a...)
Show SMILES CCCCCCC(CCCC)C(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H28O7P2/c1-3-5-7-8-10-11(9-6-4-2)12(13,20(14,15)16)21(17,18)19/h11,13H,3-10H2,1-2H3,(H2,14,15,16)(H2,17,18,19)
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n/an/a 6.75E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM25285
PNG
((1-hydroxy-1-phosphonododecyl)phosphonic acid | CH...)
Show SMILES CCCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)
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n/an/a 7.75E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
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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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135834
PNG
((3-phenylpropylamino)methylenediphosphonic acid | ...)
Show SMILES OP(O)(O)C(=NCCCc1ccccc1)P(O)(O)=O |w:5.5|
Show InChI InChI=1S/C10H17NO6P2/c12-18(13,14)10(19(15,16)17)11-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,12-14,18H,4,7-8H2,(H2,15,16,17)
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n/an/a 1.07E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50115107
PNG
((Diethylamino-phosphono-methyl)-phosphonic acid | ...)
Show SMILES CCN(CC)C(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H15NO6P2/c1-3-6(4-2)5(13(7,8)9)14(10,11)12/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12)
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n/an/a 1.82E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
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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n/an/a 1.99E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50135819
PNG
((Bis-phosphono-methyl)-cyclopropyl-ammonium | (cyc...)
Show SMILES OP(O)(O)C(=NC1CC1)P(O)(O)=O |w:5.5|
Show InChI InChI=1S/C4H11NO6P2/c6-12(7,8)4(13(9,10)11)5-3-1-2-3/h3,6-8,12H,1-2H2,(H2,9,10,11)
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n/an/a 4.05E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50138033
PNG
((3,5-di-tert-butylphenylamino)methylenediphosphoni...)
Show SMILES CC(C)(C)c1cc(NC(P(O)(O)=O)P(O)(O)=O)cc(c1)C(C)(C)C
Show InChI InChI=1S/C15H27NO6P2/c1-14(2,3)10-7-11(15(4,5)6)9-12(8-10)16-13(23(17,18)19)24(20,21)22/h7-9,13,16H,1-6H3,(H2,17,18,19)(H2,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Squalene synthase


(Homo sapiens (Human))
BDBM50138026
PNG
((4,6-dimethyl-2-pyridinyl)-aminomethylene-1,1-bisp...)
Show SMILES Cc1cc(C)nc(NC(P(O)(O)=O)P(O)(O)=O)c1
Show InChI InChI=1S/C8H14N2O6P2/c1-5-3-6(2)9-7(4-5)10-8(17(11,12)13)18(14,15)16/h3-4,8H,1-2H3,(H,9,10)(H2,11,12,13)(H2,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl-diphosphatesynthase (FPP synthase)


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50138049
PNG
((4-heptylphenylamino)methylenediphosphonic acid | ...)
Show SMILES CCCCCCCc1ccc(NC(P(O)(O)=O)P(O)(O)=O)cc1
Show InChI InChI=1S/C14H25NO6P2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)15-14(22(16,17)18)23(19,20)21/h8-11,14-15H,2-7H2,1H3,(H2,16,17,18)(H2,19,20,21)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Squalene synthase


(Homo sapiens (Human))
BDBM50138023
PNG
((6-chloropyridin-3-ylamino)methylenediphosphonic a...)
Show SMILES OP(O)(=O)C(Nc1ccc(Cl)nc1)P(O)(O)=O
Show InChI InChI=1S/C6H9ClN2O6P2/c7-5-2-1-4(3-8-5)9-6(16(10,11)12)17(13,14)15/h1-3,6,9H,(H2,10,11,12)(H2,13,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl-diphosphatesynthase (FPP synthase)


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50138027
PNG
((Morpholin-4-yl-phosphono-methyl)-phosphonic acid ...)
Show SMILES OP(O)(=O)C(N1CCOCC1)P(O)(O)=O
Show InChI InChI=1S/C5H13NO7P2/c7-14(8,9)5(15(10,11)12)6-1-3-13-4-2-6/h5H,1-4H2,(H2,7,8,9)(H2,10,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50138038
PNG
((4-butoxyphenyl)aminomethyelene-1,1-bisphosphonate...)
Show SMILES CCCCOc1ccc(NC(P(O)(O)=O)P(O)(O)=O)cc1
Show InChI InChI=1S/C11H19NO7P2/c1-2-3-8-19-10-6-4-9(5-7-10)12-11(20(13,14)15)21(16,17)18/h4-7,11-12H,2-3,8H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50098379
PNG
((1-Hydroxy-1-phosphono-pentyl)-phosphonic acid | 1...)
Show SMILES CCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H14O7P2/c1-2-3-4-5(6,13(7,8)9)14(10,11)12/h6H,2-4H2,1H3,(H2,7,8,9)(H2,10,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50098385
PNG
(1-hydroxy-2-(pyridin-4-ylthio)ethane-1,1-diyldipho...)
Show SMILES OC(CSc1ccncc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2S/c9-7(16(10,11)12,17(13,14)15)5-18-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50097888
PNG
((1-Hydroxy-1-phosphono-tetradecyl)-phosphonic acid...)
Show SMILES CCCCCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H32O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15,22(16,17)18)23(19,20)21/h15H,2-13H2,1H3,(H2,16,17,18)(H2,19,20,21)
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PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
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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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50138019
PNG
((4-butylphenyl)aminomethylene-1,1-bisphosphonate 0...)
Show SMILES CCCCc1ccc(NC(P(O)(O)=O)P(O)(O)=O)cc1
Show InChI InChI=1S/C11H19NO6P2/c1-2-3-4-9-5-7-10(8-6-9)12-11(19(13,14)15)20(16,17)18/h5-8,11-12H,2-4H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50138028
PNG
((Diisopropylamino-phosphono-methyl)-phosphonic aci...)
Show SMILES CC(C)N(C(C)C)C(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H19NO6P2/c1-5(2)8(6(3)4)7(15(9,10)11)16(12,13)14/h5-7H,1-4H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50138040
PNG
((biphenyl-3-ylamino)methylenediphosphonic acid | B...)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H15NO6P2/c15-21(16,17)13(22(18,19)20)14-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20)
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair