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PubMed code 16392806

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))		BDBM50098390
PNG
((3-methylpyridin-2-ylamino)methylenediphosphonic a...)
Show SMILES Cc1cccnc1NC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(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 112n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
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 FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))		BDBM50180147
PNG
((cycloheptylamino-hydroxy-phosphono-methyl)-phosph...)
Show SMILES OC(NC1CCCCCC1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H19NO7P2/c10-8(17(11,12)13,18(14,15)16)9-7-5-3-1-2-4-6-7/h7,9-10H,1-6H2,(H2,11,12,13)(H2,14,15,16)
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n/an/a 228n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
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 420n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
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n/an/a 810n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50173799
PNG
((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)
Show SMILES OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O
Show InChI InChI=1S/C7H10BrNO6P2/c8-5-2-1-3-6(4-5)9-7(16(10,11)12)17(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15)
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n/an/a 950n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))		BDBM50098386
PNG
((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.34E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		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 1.45E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50180150
PNG
(1-hydroxy-2-(4-phenylimidazol-1-yl)ethylidene-1,1-...)
Show SMILES OC(Cn1cnc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H14N2O7P2/c14-11(21(15,16)17,22(18,19)20)7-13-6-10(12-8-13)9-4-2-1-3-5-9/h1-6,8,14H,7H2,(H2,15,16,17)(H2,18,19,20)
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n/an/a 1.82E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		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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n/an/a 1.95E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50180153
PNG
(1-hydroxy-2-[3-(2,4-difluoro-5-methylphenyl)phenyl...)
Show SMILES Cc1cc(c(F)cc1F)-c1cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c1
Show InChI InChI=1S/C15H16F2O7P2/c1-9-5-12(14(17)7-13(9)16)11-4-2-3-10(6-11)8-15(18,25(19,20)21)26(22,23)24/h2-7,18H,8H2,1H3,(H2,19,20,21)(H2,22,23,24)
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n/an/a 2.29E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50180149
PNG
(3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)...)
Show SMILES OC(C[n+]1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)/p+1
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n/an/a 2.29E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
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 FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50173796
PNG
(CHEMBL450938 | [(3-nitro-phenylamino)-phosphono-me...)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)[N+]([O-])=O)P(O)(O)=O
Show InChI InChI=1S/C7H10N2O8P2/c10-9(11)6-3-1-2-5(4-6)8-7(18(12,13)14)19(15,16)17/h1-4,7-8H,(H2,12,13,14)(H2,15,16,17)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50173794
PNG
((3',4'-difluorobiphenyl-3-ylamino)methylenediphosp...)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)-c1ccc(F)c(F)c1)P(O)(O)=O
Show InChI InChI=1S/C13H13F2NO6P2/c14-11-5-4-9(7-12(11)15)8-2-1-3-10(6-8)16-13(23(17,18)19)24(20,21)22/h1-7,13,16H,(H2,17,18,19)(H2,20,21,22)
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n/an/a 2.75E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		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 2.75E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50173790
PNG
(2-(biphenyl-3-ylamino)ethane-1,1-diyldiphosphonic ...)
Show SMILES OP(O)(=O)C(CNc1cccc(c1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)10-15-13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21)
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n/an/a 3.47E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50180148
PNG
(CHEMBL202878 | [4-fluoro-3-phenylphenylamino]methy...)
Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H14FNO6P2/c14-12-7-6-10(8-11(12)9-4-2-1-3-5-9)15-13(22(16,17)18)23(19,20)21/h1-8,13,15H,(H2,16,17,18)(H2,19,20,21)
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n/an/a 3.63E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50173752
PNG
((3-(methoxymethyl)phenylamino)methylenediphosphoni...)
Show SMILES COCc1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1
Show InChI InChI=1S/C9H15NO7P2/c1-17-6-7-3-2-4-8(5-7)10-9(18(11,12)13)19(14,15)16/h2-5,9-10H,6H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 4.07E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))		BDBM50173779
PNG
(2-(1,1'-biphenyl-3-yl)-1-[dihydroxy(oxido)-lambda~...)
Show SMILES OP(O)(=O)C(Cc1cccc(c1)-c1ccccc1)S(O)(=O)=O
Show InChI InChI=1S/C14H15O6PS/c15-21(16,17)14(22(18,19)20)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,15,16,17)(H,18,19,20)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
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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n/an/a 1.15E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))		BDBM50180153
PNG
(1-hydroxy-2-[3-(2,4-difluoro-5-methylphenyl)phenyl...)
Show SMILES Cc1cc(c(F)cc1F)-c1cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c1
Show InChI InChI=1S/C15H16F2O7P2/c1-9-5-12(14(17)7-13(9)16)11-4-2-3-10(6-11)8-15(18,25(19,20)21)26(22,23)24/h2-7,18H,8H2,1H3,(H2,19,20,21)(H2,22,23,24)
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n/an/a 1.23E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50098386
PNG
((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...)
Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.26E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50173787
PNG
((3-(hydroxymethyl)phenylamino)methylenediphosphoni...)
Show SMILES OCc1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1
Show InChI InChI=1S/C8H13NO7P2/c10-5-6-2-1-3-7(4-6)9-8(17(11,12)13)18(14,15)16/h1-4,8-10H,5H2,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.48E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))		BDBM50180148
PNG
(CHEMBL202878 | [4-fluoro-3-phenylphenylamino]methy...)
Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H14FNO6P2/c14-12-7-6-10(8-11(12)9-4-2-1-3-5-9)15-13(22(16,17)18)23(19,20)21/h1-8,13,15H,(H2,16,17,18)(H2,19,20,21)
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n/an/a 2.86E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50173768
PNG
((biphenyl-3-yl-hydroxy-phosphono-methyl)-phosphoni...)
Show SMILES OC(c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H14O7P2/c14-13(21(15,16)17,22(18,19)20)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14H,(H2,15,16,17)(H2,18,19,20)
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n/an/a 3.47E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50098390
PNG
((3-methylpyridin-2-ylamino)methylenediphosphonic a...)
Show SMILES Cc1cccnc1NC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(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 4.57E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50165966
PNG
(CHEMBL191613 | [(2,4-Dichloro-phenylamino)-phospho...)
Show SMILES OP(O)(=O)C(Nc1ccc(Cl)cc1Cl)P(O)(O)=O
Show InChI InChI=1S/C7H9Cl2NO6P2/c8-4-1-2-6(5(9)3-4)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50165350
PNG
(CHEMBL192938 | hydrogen 1-hydroxy-2-[3-(3-methylbe...)
Show SMILES Cc1cccc(Cc2ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c2)c1
Show InChI InChI=1S/C15H19NO7P2/c1-12-4-2-5-13(8-12)9-14-6-3-7-16(10-14)11-15(17,24(18,19)20)25(21,22)23/h2-8,10,17H,9,11H2,1H3,(H3-,18,19,20,21,22,23)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50180147
PNG
((cycloheptylamino-hydroxy-phosphono-methyl)-phosph...)
Show SMILES OC(NC1CCCCCC1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H19NO7P2/c10-8(17(11,12)13,18(14,15)16)9-7-5-3-1-2-4-6-7/h7,9-10H,1-6H2,(H2,11,12,13)(H2,14,15,16)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM25299
PNG
(1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...)
Show SMILES OC(C[n+]1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C13H15NO7P2/c15-13(22(16,17)18,23(19,20)21)10-14-8-4-7-12(9-14)11-5-2-1-3-6-11/h1-9,15H,10H2,(H3-,16,17,18,19,20,21)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50370779
PNG
(CHEMBL199858)
Show SMILES OC(Cn1cnc2ccccc12)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50135827
PNG
((Bis-phosphono-methyl)-propyl-ammonium | (phosphon...)
Show SMILES CCCN=C(P(O)(O)O)P(O)(O)=O |w:3.2|
Show InChI InChI=1S/C4H13NO6P2/c1-2-3-5-4(12(6,7)8)13(9,10)11/h6-8,12H,2-3H2,1H3,(H2,9,10,11)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50422787
PNG
((BUTYL(ETHYL)AMINO)METHYLENEDIPHOSPHONIC ACID)
Show SMILES CCCCN(CC)C(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H19NO6P2/c1-3-5-6-8(4-2)7(15(9,10)11)16(12,13)14/h7H,3-6H2,1-2H3,(H2,9,10,11)(H2,12,13,14)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM25310
PNG
(1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...)
Show SMILES OC(C[n+]1ccccc1)(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)6-8-4-2-1-3-5-8/h1-5,9H,6H2,(H3-,10,11,12,13,14,15)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50138728
PNG
(CHEMBL333503 | [(3-tert-butyl-phenyl)-aminomethyle...)
Show SMILES CC(C)(C)c1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1
Show InChI InChI=1S/C11H19NO6P2/c1-11(2,3)8-5-4-6-9(7-8)12-10(19(13,14)15)20(16,17)18/h4-7,10,12H,1-3H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50422785
PNG
(CHEMBL200032)
Show SMILES OP(O)(O)C(CN[C@@H](C=O)c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C10H17NO7P2/c12-7-9(8-4-2-1-3-5-8)11-6-10(19(13,14)15)20(16,17)18/h1-5,7,9-11,13-15,19H,6H2,(H2,16,17,18)/t9-,10?/m0/s1
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50422790
PNG
(CHEMBL370377)
Show SMILES OC(CNc1ccncc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H12N2O7P2/c10-7(17(11,12)13,18(14,15)16)5-9-6-1-3-8-4-2-6/h1-4,10H,5H2,(H,8,9)(H2,11,12,13)(H2,14,15,16)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50422789
PNG
(3-Phenylphenylaminomethylphosphonic Acid | CHEMBL2...)
Show SMILES OP(O)(=O)CNc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H14NO3P/c15-18(16,17)10-14-13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,15,16,17)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50173779
PNG
(2-(1,1'-biphenyl-3-yl)-1-[dihydroxy(oxido)-lambda~...)
Show SMILES OP(O)(=O)C(Cc1cccc(c1)-c1ccccc1)S(O)(=O)=O
Show InChI InChI=1S/C14H15O6PS/c15-21(16,17)14(22(18,19)20)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,15,16,17)(H,18,19,20)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50422786
PNG
(CHEMBL200720)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)-c1ccc(=O)[nH]c1)P(O)(O)=O
Show InChI InChI=1S/C12H14N2O7P2/c15-11-5-4-9(7-13-11)8-2-1-3-10(6-8)14-12(22(16,17)18)23(19,20)21/h1-7,12,14H,(H,13,15)(H2,16,17,18)(H2,19,20,21)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50422784
PNG
(CHEMBL202390)
Show SMILES C[N+](C)=c1ccn(CC(O)(P(O)(O)=O)P(O)(O)=O)cc1 |(18.73,-7.4,;19.81,-8.49,;19.41,-9.97,;21.3,-8.1,;21.71,-6.6,;23.2,-6.21,;24.28,-7.32,;25.78,-6.92,;27.11,-7.69,;28.44,-8.45,;27.88,-6.35,;29.21,-7.11,;26.54,-5.59,;28.63,-5.02,;26.35,-9.02,;27.69,-9.79,;25.02,-8.25,;25.57,-10.35,;23.88,-8.8,;22.4,-9.19,)|
Show InChI InChI=1S/C9H16N2O7P2/c1-10(2)8-3-5-11(6-4-8)7-9(12,19(13,14)15)20(16,17)18/h3-6,12H,7H2,1-2H3,(H3-,13,14,15,16,17,18)/p+1
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50422783
PNG
(CHEMBL199654)
Show SMILES OC(Cc1cccc(c1)-c1ccc(=O)[nH]c1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H15NO8P2/c15-12-5-4-11(8-14-12)10-3-1-2-9(6-10)7-13(16,23(17,18)19)24(20,21)22/h1-6,8,16H,7H2,(H,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		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 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50173780
PNG
((2-Adamantan-1-yl-1-hydroxy-1-phosphono-ethyl)-pho...)
Show SMILES OC(CC12CC3CC(CC(C3)C1)C2)(P(O)(O)=O)P(O)(O)=O |TLB:10:9:12:5.4.6,10:5:12:9.11.8,THB:8:7:4:9.11.10,8:9:4:7.12.6|
Show InChI InChI=1S/C12H22O7P2/c13-12(20(14,15)16,21(17,18)19)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,13H,1-7H2,(H2,14,15,16)(H2,17,18,19)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50173802
PNG
((Bis-phosphono-methyl)-((S)-1-naphthalen-1-yl-ethy...)
Show SMILES C[C@H](N=C(P(O)(O)O)P(O)(O)=O)c1cccc2ccccc12 |w:3.3|
Show InChI InChI=1S/C13H17NO6P2/c1-9(14-13(21(15,16)17)22(18,19)20)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,15-17,21H,1H3,(H2,18,19,20)/t9-/m0/s1
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		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 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50422788
PNG
(CHEMBL199652)
Show SMILES CCOC(=O)C(Cc1cccc(c1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C17H19O5P/c1-2-22-17(18)16(23(19,20)21)12-13-7-6-10-15(11-13)14-8-4-3-5-9-14/h3-11,16H,2,12H2,1H3,(H2,19,20,21)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)		BDBM50422782
PNG
(CHEMBL52621)
Show SMILES OP(O)(=O)C(Nc1ncccc1OCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H16N2O7P2/c16-23(17,18)13(24(19,20)21)15-12-11(7-4-8-14-12)22-9-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,14,15)(H2,16,17,18)(H2,19,20,21)
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n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Phosphotransferase


(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 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))		BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
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n/an/a 1.00E+13n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
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+13n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against FPPS in Leishmania major

J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%