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Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with all data for entry = 50043770   
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
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446088
PNG
(CHEMBL3108870)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nncs2)cc1Cl
Show InChI InChI=1S/C16H12ClFN4O3S2/c17-13-7-10(1-6-14(13)18)8-15(23)20-11-2-4-12(5-3-11)27(24,25)22-16-21-19-9-26-16/h1-7,9H,8H2,(H,20,23)(H,21,22)
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52n/an/an/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition Trypanosoma brucei PFK using fructose-6-phosphate as substrate by Line-weaver Burk plot analysis


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446088
PNG
(CHEMBL3108870)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nncs2)cc1Cl
Show InChI InChI=1S/C16H12ClFN4O3S2/c17-13-7-10(1-6-14(13)18)8-15(23)20-11-2-4-12(5-3-11)27(24,25)22-16-21-19-9-26-16/h1-7,9H,8H2,(H,20,23)(H,21,22)
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240n/an/an/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Mixed type inhibition Trypanosoma brucei PFK using ATP as substrate by Line-weaver Burk plot analysis


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446088
PNG
(CHEMBL3108870)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nncs2)cc1Cl
Show InChI InChI=1S/C16H12ClFN4O3S2/c17-13-7-10(1-6-14(13)18)8-15(23)20-11-2-4-12(5-3-11)27(24,25)22-16-21-19-9-26-16/h1-7,9H,8H2,(H,20,23)(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446090
PNG
(CHEMBL3108868)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1Cl
Show InChI InChI=1S/C17H13ClFN3O3S2/c18-14-9-11(1-6-15(14)19)10-16(23)21-12-2-4-13(5-3-12)27(24,25)22-17-20-7-8-26-17/h1-9H,10H2,(H,20,22)(H,21,23)
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n/an/a 24n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446091
PNG
(CHEMBL3108867)
Show SMILES Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1Cl
Show InChI InChI=1S/C17H13Cl2N3O3S2/c18-14-6-1-11(9-15(14)19)10-16(23)21-12-2-4-13(5-3-12)27(24,25)22-17-20-7-8-26-17/h1-9H,10H2,(H,20,22)(H,21,23)
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n/an/a 41n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446089
PNG
(CHEMBL3108869)
Show SMILES Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nncs2)cc1Cl
Show InChI InChI=1S/C16H12Cl2N4O3S2/c17-13-6-1-10(7-14(13)18)8-15(23)20-11-2-4-12(5-3-11)27(24,25)22-16-21-19-9-26-16/h1-7,9H,8H2,(H,20,23)(H,21,22)
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n/an/a 52n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446091
PNG
(CHEMBL3108867)
Show SMILES Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1Cl
Show InChI InChI=1S/C17H13Cl2N3O3S2/c18-14-6-1-11(9-15(14)19)10-16(23)21-12-2-4-13(5-3-12)27(24,25)22-17-20-7-8-26-17/h1-9H,10H2,(H,20,22)(H,21,23)
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n/an/a 79n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446089
PNG
(CHEMBL3108869)
Show SMILES Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nncs2)cc1Cl
Show InChI InChI=1S/C16H12Cl2N4O3S2/c17-13-6-1-10(7-14(13)18)8-15(23)20-11-2-4-12(5-3-11)27(24,25)22-16-21-19-9-26-16/h1-7,9H,8H2,(H,20,23)(H,21,22)
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n/an/a 112n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446090
PNG
(CHEMBL3108868)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1Cl
Show InChI InChI=1S/C17H13ClFN3O3S2/c18-14-9-11(1-6-15(14)19)10-16(23)21-12-2-4-13(5-3-12)27(24,25)22-17-20-7-8-26-17/h1-9H,10H2,(H,20,22)(H,21,23)
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n/an/a 120n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446100
PNG
(CHEMBL3108858)
Show SMILES Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccon2)cc1Cl
Show InChI InChI=1S/C17H13Cl2N3O4S/c18-14-6-1-11(9-15(14)19)10-17(23)20-12-2-4-13(5-3-12)27(24,25)22-16-7-8-26-21-16/h1-9H,10H2,(H,20,23)(H,21,22)
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n/an/a 130n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446095
PNG
(CHEMBL3108863)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1
Show InChI InChI=1S/C21H16Cl2N2O5S/c22-18-10-1-13(11-19(18)23)12-20(26)24-15-6-8-17(9-7-15)31(29,30)25-16-4-2-14(3-5-16)21(27)28/h1-11,25H,12H2,(H,24,26)(H,27,28)
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n/an/a 160n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446088
PNG
(CHEMBL3108870)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nncs2)cc1Cl
Show InChI InChI=1S/C16H12ClFN4O3S2/c17-13-7-10(1-6-14(13)18)8-15(23)20-11-2-4-12(5-3-11)27(24,25)22-16-21-19-9-26-16/h1-7,9H,8H2,(H,20,23)(H,21,22)
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n/an/a 172n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446129
PNG
(CHEMBL1394402)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)no1
Show InChI InChI=1S/C18H15Cl2N3O4S/c1-11-8-17(22-27-11)23-28(25,26)14-5-3-13(4-6-14)21-18(24)10-12-2-7-15(19)16(20)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
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n/an/a 230n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446097
PNG
(CHEMBL3108861)
Show SMILES OC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1
Show InChI InChI=1S/C21H16Cl2N2O5S/c22-18-9-4-13(10-19(18)23)11-20(26)24-15-5-7-17(8-6-15)31(29,30)25-16-3-1-2-14(12-16)21(27)28/h1-10,12,25H,11H2,(H,24,26)(H,27,28)
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n/an/a 260n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446095
PNG
(CHEMBL3108863)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1
Show InChI InChI=1S/C21H16Cl2N2O5S/c22-18-10-1-13(11-19(18)23)12-20(26)24-15-6-8-17(9-7-15)31(29,30)25-16-4-2-14(3-5-16)21(27)28/h1-11,25H,12H2,(H,24,26)(H,27,28)
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n/an/a 290n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446100
PNG
(CHEMBL3108858)
Show SMILES Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccon2)cc1Cl
Show InChI InChI=1S/C17H13Cl2N3O4S/c18-14-6-1-11(9-15(14)19)10-17(23)20-12-2-4-13(5-3-12)27(24,25)22-16-7-8-26-21-16/h1-9H,10H2,(H,20,23)(H,21,22)
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n/an/a 370n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446129
PNG
(CHEMBL1394402)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)no1
Show InChI InChI=1S/C18H15Cl2N3O4S/c1-11-8-17(22-27-11)23-28(25,26)14-5-3-13(4-6-14)21-18(24)10-12-2-7-15(19)16(20)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446102
PNG
(CHEMBL3108856)
Show SMILES OS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C14H11Cl2NO4S/c15-12-6-1-9(7-13(12)16)8-14(18)17-10-2-4-11(5-3-10)22(19,20)21/h1-7H,8H2,(H,17,18)(H,19,20,21)
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n/an/a 460n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446111
PNG
(CHEMBL3108848)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(F)c(Cl)c3)cc2)no1
Show InChI InChI=1S/C18H15ClFN3O4S/c1-11-8-17(22-27-11)23-28(25,26)14-5-3-13(4-6-14)21-18(24)10-12-2-7-16(20)15(19)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
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n/an/a 460n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446099
PNG
(CHEMBL3108859)
Show SMILES Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccn[nH]2)cc1Cl
Show InChI InChI=1S/C17H14Cl2N4O3S/c18-14-6-1-11(9-15(14)19)10-17(24)21-12-2-4-13(5-3-12)27(25,26)23-16-7-8-20-22-16/h1-9H,10H2,(H,21,24)(H2,20,22,23)
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n/an/a 520n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446097
PNG
(CHEMBL3108861)
Show SMILES OC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1
Show InChI InChI=1S/C21H16Cl2N2O5S/c22-18-9-4-13(10-19(18)23)11-20(26)24-15-5-7-17(8-6-15)31(29,30)25-16-3-1-2-14(12-16)21(27)28/h1-10,12,25H,11H2,(H,24,26)(H,27,28)
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n/an/a 580n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446112
PNG
(CHEMBL3108847)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(F)c3)cc2)no1
Show InChI InChI=1S/C18H15ClFN3O4S/c1-11-8-17(22-27-11)23-28(25,26)14-5-3-13(4-6-14)21-18(24)10-12-2-7-15(19)16(20)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
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n/an/a 650n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446102
PNG
(CHEMBL3108856)
Show SMILES OS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C14H11Cl2NO4S/c15-12-6-1-9(7-13(12)16)8-14(18)17-10-2-4-11(5-3-10)22(19,20)21/h1-7H,8H2,(H,17,18)(H,19,20,21)
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n/an/a 650n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446113
PNG
(CHEMBL3108846)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(c3)C(F)(F)F)cc2)no1
Show InChI InChI=1S/C19H15ClF3N3O4S/c1-11-8-17(25-30-11)26-31(28,29)14-5-3-13(4-6-14)24-18(27)10-12-2-7-16(20)15(9-12)19(21,22)23/h2-9H,10H2,1H3,(H,24,27)(H,25,26)
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n/an/a 680n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446112
PNG
(CHEMBL3108847)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(F)c3)cc2)no1
Show InChI InChI=1S/C18H15ClFN3O4S/c1-11-8-17(22-27-11)23-28(25,26)14-5-3-13(4-6-14)21-18(24)10-12-2-7-15(19)16(20)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
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n/an/a 700n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446099
PNG
(CHEMBL3108859)
Show SMILES Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccn[nH]2)cc1Cl
Show InChI InChI=1S/C17H14Cl2N4O3S/c18-14-6-1-11(9-15(14)19)10-17(24)21-12-2-4-13(5-3-12)27(25,26)23-16-7-8-20-22-16/h1-9H,10H2,(H,21,24)(H2,20,22,23)
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n/an/a 730n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446094
PNG
(CHEMBL3108864)
Show SMILES Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cncnc2)cc1Cl
Show InChI InChI=1S/C18H14Cl2N4O3S/c19-16-6-1-12(7-17(16)20)8-18(25)23-13-2-4-15(5-3-13)28(26,27)24-14-9-21-11-22-10-14/h1-7,9-11,24H,8H2,(H,23,25)
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n/an/a 730n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446111
PNG
(CHEMBL3108848)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(F)c(Cl)c3)cc2)no1
Show InChI InChI=1S/C18H15ClFN3O4S/c1-11-8-17(22-27-11)23-28(25,26)14-5-3-13(4-6-14)21-18(24)10-12-2-7-16(20)15(19)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
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n/an/a 730n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446094
PNG
(CHEMBL3108864)
Show SMILES Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cncnc2)cc1Cl
Show InChI InChI=1S/C18H14Cl2N4O3S/c19-16-6-1-12(7-17(16)20)8-18(25)23-13-2-4-15(5-3-13)28(26,27)24-14-9-21-11-22-10-14/h1-7,9-11,24H,8H2,(H,23,25)
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n/an/a 820n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446113
PNG
(CHEMBL3108846)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(c3)C(F)(F)F)cc2)no1
Show InChI InChI=1S/C19H15ClF3N3O4S/c1-11-8-17(25-30-11)26-31(28,29)14-5-3-13(4-6-14)24-18(27)10-12-2-7-16(20)15(9-12)19(21,22)23/h2-9H,10H2,1H3,(H,24,27)(H,25,26)
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n/an/a 920n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446098
PNG
(CHEMBL3108860)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n(C)n1
Show InChI InChI=1S/C19H18Cl2N4O3S/c1-12-9-18(25(2)23-12)24-29(27,28)15-6-4-14(5-7-15)22-19(26)11-13-3-8-16(20)17(21)10-13/h3-10,24H,11H2,1-2H3,(H,22,26)
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n/an/a 1.16E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446124
PNG
(CHEMBL3108835)
Show SMILES CN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-12-9-18(22-28-12)23-29(26,27)15-6-4-14(5-7-15)24(2)19(25)11-13-3-8-16(20)17(21)10-13/h3-10H,11H2,1-2H3,(H,22,23)
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446115
PNG
(CHEMBL3108844)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)no1
Show InChI InChI=1S/C18H16ClN3O4S/c1-12-10-17(21-26-12)22-27(24,25)16-8-6-15(7-9-16)20-18(23)11-13-2-4-14(19)5-3-13/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
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n/an/a 1.46E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446093
PNG
(CHEMBL3108865)
Show SMILES Oc1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1
Show InChI InChI=1S/C20H16Cl2N2O4S/c21-18-9-4-13(10-19(18)22)11-20(26)23-14-5-7-17(8-6-14)29(27,28)24-15-2-1-3-16(25)12-15/h1-10,12,24-25H,11H2,(H,23,26)
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n/an/a 1.46E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446093
PNG
(CHEMBL3108865)
Show SMILES Oc1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1
Show InChI InChI=1S/C20H16Cl2N2O4S/c21-18-9-4-13(10-19(18)22)11-20(26)23-14-5-7-17(8-6-14)29(27,28)24-15-2-1-3-16(25)12-15/h1-10,12,24-25H,11H2,(H,23,26)
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n/an/a 1.63E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446106
PNG
(CHEMBL3108852)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)no1
Show InChI InChI=1S/C22H19N3O4S/c1-15-12-21(24-29-15)25-30(27,28)20-10-8-19(9-11-20)23-22(26)14-16-6-7-17-4-2-3-5-18(17)13-16/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
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n/an/a 1.83E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446115
PNG
(CHEMBL3108844)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)no1
Show InChI InChI=1S/C18H16ClN3O4S/c1-12-10-17(21-26-12)22-27(24,25)16-8-6-15(7-9-16)20-18(23)11-13-2-4-14(19)5-3-13/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
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n/an/a 1.83E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446120
PNG
(CHEMBL3108839)
Show SMILES CN(c1cc(C)on1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-12-9-18(23-28-12)24(2)29(26,27)15-6-4-14(5-7-15)22-19(25)11-13-3-8-16(20)17(21)10-13/h3-10H,11H2,1-2H3,(H,22,25)
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n/an/a 2.06E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446098
PNG
(CHEMBL3108860)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n(C)n1
Show InChI InChI=1S/C19H18Cl2N4O3S/c1-12-9-18(25(2)23-12)24-29(27,28)15-6-4-14(5-7-15)22-19(26)11-13-3-8-16(20)17(21)10-13/h3-10,24H,11H2,1-2H3,(H,22,26)
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n/an/a 2.31E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446118
PNG
(CHEMBL3108841)
Show SMILES Cc1cc(NS(=O)(=O)Cc2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)no1
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-12-8-18(23-28-12)24-29(26,27)11-13-2-5-15(6-3-13)22-19(25)10-14-4-7-16(20)17(21)9-14/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
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n/an/a 2.59E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446116
PNG
(CHEMBL3108843)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)no1
Show InChI InChI=1S/C18H16ClN3O4S/c1-12-9-17(21-26-12)22-27(24,25)16-7-5-15(6-8-16)20-18(23)11-13-3-2-4-14(19)10-13/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
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n/an/a 2.59E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446122
PNG
(CHEMBL3108837)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)C(=O)NCc2ccc(Cl)c(Cl)c2)no1
Show InChI InChI=1S/C18H15Cl2N3O4S/c1-11-8-17(22-27-11)23-28(25,26)14-5-3-13(4-6-14)18(24)21-10-12-2-7-15(19)16(20)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
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n/an/a 2.91E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446120
PNG
(CHEMBL3108839)
Show SMILES CN(c1cc(C)on1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-12-9-18(23-28-12)24(2)29(26,27)15-6-4-14(5-7-15)22-19(25)11-13-3-8-16(20)17(21)10-13/h3-10H,11H2,1-2H3,(H,22,25)
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n/an/a 2.91E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50336799
PNG
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
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n/an/a 3.00E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446118
PNG
(CHEMBL3108841)
Show SMILES Cc1cc(NS(=O)(=O)Cc2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)no1
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-12-8-18(23-28-12)24-29(26,27)11-13-2-5-15(6-3-13)22-19(25)10-14-4-7-16(20)17(21)9-14/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
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n/an/a 3.26E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446110
PNG
(CHEMBL3108849)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)c(F)c3)cc2)no1
Show InChI InChI=1S/C19H18FN3O4S/c1-12-3-4-14(10-17(12)20)11-19(24)21-15-5-7-16(8-6-15)28(25,26)23-18-9-13(2)27-22-18/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)
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n/an/a 4.60E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446114
PNG
(CHEMBL3108845)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc2)no1
Show InChI InChI=1S/C18H15Cl2N3O4S/c1-11-8-17(22-27-11)23-28(25,26)15-6-4-14(5-7-15)21-18(24)9-12-2-3-13(19)10-16(12)20/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)
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n/an/a 4.61E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446122
PNG
(CHEMBL3108837)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)C(=O)NCc2ccc(Cl)c(Cl)c2)no1
Show InChI InChI=1S/C18H15Cl2N3O4S/c1-11-8-17(22-27-11)23-28(25,26)14-5-3-13(4-6-14)18(24)21-10-12-2-7-15(19)16(20)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
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n/an/a 5.16E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446104
PNG
(CHEMBL3108854)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)no1
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-12-10-18(23-28-12)24-29(26,27)15-6-4-14(5-7-15)22-19(25)9-3-13-2-8-16(20)17(21)11-13/h2,4-8,10-11H,3,9H2,1H3,(H,22,25)(H,23,24)
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n/an/a 5.17E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446092
PNG
(CHEMBL3108866)
Show SMILES CN(C)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1
Show InChI InChI=1S/C22H21Cl2N3O3S/c1-27(2)18-5-3-4-17(14-18)26-31(29,30)19-9-7-16(8-10-19)25-22(28)13-15-6-11-20(23)21(24)12-15/h3-12,14,26H,13H2,1-2H3,(H,25,28)
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n/an/a 5.80E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
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