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Found 1548 hits Enz. Inhib. hit(s) with Target = 'Hexokinase'   
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
Glucokinase


(Mus musculus (Mouse))
BDBM239065
PNG
(US9409900, 6)
Show SMILES CS(=O)(=O)c1ccc(Oc2ccc(Nc3ccc(cn3)C(O)=O)cc2CN2CCCC2=O)cn1
Show InChI InChI=1S/C23H22N4O6S/c1-34(31,32)21-9-6-18(13-25-21)33-19-7-5-17(11-16(19)14-27-10-2-3-22(27)28)26-20-8-4-15(12-24-20)23(29)30/h4-9,11-13H,2-3,10,14H2,1H3,(H,24,26)(H,29,30)
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n/an/an/an/a 2.00E+3n/an/a7.1n/a



FUJIAN HAIXI PHARMACEUTICALS, INC.; BETTA PHARMACUETICALS CO., LTD.

US Patent


Assay Description
The final assay volume was 200 uL and the final buffer conditions used in this assay were as follows: 25 mM HEPES, 5 mM glucose, 1 mM ATP, 2 mM MgCl2...


US Patent US9409900 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2V3P
More data for this
Ligand-Target Pair
Glucokinase


(Mus musculus (Mouse))
BDBM239067
PNG
(US9409900, 78)
Show SMILES CN(C)C(=O)c1ccc(Oc2ccc(Nc3ccc(CCC(O)=O)cn3)cc2CN2CCCC2=O)cn1
Show InChI InChI=1S/C27H29N5O5/c1-31(2)27(36)22-9-8-21(16-28-22)37-23-10-7-20(14-19(23)17-32-13-3-4-25(32)33)30-24-11-5-18(15-29-24)6-12-26(34)35/h5,7-11,14-16H,3-4,6,12-13,17H2,1-2H3,(H,29,30)(H,34,35)
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n/an/an/an/a 1.50E+3n/an/a7.1n/a



FUJIAN HAIXI PHARMACEUTICALS, INC.; BETTA PHARMACUETICALS CO., LTD.

US Patent


Assay Description
The final assay volume was 200 uL and the final buffer conditions used in this assay were as follows: 25 mM HEPES, 5 mM glucose, 1 mM ATP, 2 mM MgCl2...


US Patent US9409900 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2V3P
More data for this
Ligand-Target Pair
Glucokinase


(Mus musculus (Mouse))
BDBM239068
PNG
(US9409900, 65)
Show SMILES CN(C)C(=O)c1ccc(Oc2ccc(Nc3ccccn3)cc2CN2CCCC2=O)cn1
Show InChI InChI=1S/C24H25N5O3/c1-28(2)24(31)20-10-9-19(15-26-20)32-21-11-8-18(27-22-6-3-4-12-25-22)14-17(21)16-29-13-5-7-23(29)30/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,25,27)
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n/an/an/an/a 5.00E+3n/an/a7.1n/a



FUJIAN HAIXI PHARMACEUTICALS, INC.; BETTA PHARMACUETICALS CO., LTD.

US Patent


Assay Description
The final assay volume was 200 uL and the final buffer conditions used in this assay were as follows: 25 mM HEPES, 5 mM glucose, 1 mM ATP, 2 mM MgCl2...


US Patent US9409900 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2V3P
More data for this
Ligand-Target Pair
Glucokinase


(Mus musculus (Mouse))
BDBM239066
PNG
(US9409900, 13)
Show SMILES Cc1cnc(Nc2ccc(Oc3ccc(nc3)S(C)(=O)=O)c(CN3CCCC3=O)c2)s1
Show InChI InChI=1S/C21H22N4O4S2/c1-14-11-23-21(30-14)24-16-5-7-18(15(10-16)13-25-9-3-4-20(25)26)29-17-6-8-19(22-12-17)31(2,27)28/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,24)
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n/an/an/an/a 2.00E+3n/an/a7.1n/a



FUJIAN HAIXI PHARMACEUTICALS, INC.; BETTA PHARMACUETICALS CO., LTD.

US Patent


Assay Description
The final assay volume was 200 uL and the final buffer conditions used in this assay were as follows: 25 mM HEPES, 5 mM glucose, 1 mM ATP, 2 mM MgCl2...


US Patent US9409900 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2V3P
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85426
PNG
(Glucosamine analog, 10)
Show SMILES Nc1cccc(c1)C(=O)NC1C(O)OC(CO)C(O)C1O
Show InChI InChI=1S/C13H18N2O6/c14-7-3-1-2-6(4-7)12(19)15-9-11(18)10(17)8(5-16)21-13(9)20/h1-4,8-11,13,16-18,20H,5,14H2,(H,15,19)
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n/an/a 6.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85422
PNG
(Glucosamine analog, 4)
Show SMILES CC(=O)Nc1ccccc1C(=O)NC1C(O)OC(CO)C(O)C1O
Show InChI InChI=1S/C15H20N2O7/c1-7(19)16-9-5-3-2-4-8(9)14(22)17-11-13(21)12(20)10(6-18)24-15(11)23/h2-5,10-13,15,18,20-21,23H,6H2,1H3,(H,16,19)(H,17,22)
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n/an/a 1.80E+7n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85421
PNG
(Glucosamine analog, 2)
Show SMILES Cc1ccccc1C(=O)NC1C(O)OC(CO)C(O)C1O
Show InChI InChI=1S/C14H19NO6/c1-7-4-2-3-5-8(7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19)
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n/an/a 8.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85423
PNG
(Glucosamine analog, 7)
Show SMILES OCC1OC(O)C(NC(=O)c2ccccc2N(=O)=O)C(O)C1O
Show InChI InChI=1S/C13H16N2O8/c16-5-8-10(17)11(18)9(13(20)23-8)14-12(19)6-3-1-2-4-7(6)15(21)22/h1-4,8-11,13,16-18,20H,5H2,(H,14,19)
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n/an/a 3.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85425
PNG
(Glucosamine analog, 9)
Show SMILES Nc1ccccc1C(=O)NC1C(O)OC(CO)C(O)C1O
Show InChI InChI=1S/C13H18N2O6/c14-7-4-2-1-3-6(7)12(19)15-9-11(18)10(17)8(5-16)21-13(9)20/h1-4,8-11,13,16-18,20H,5,14H2,(H,15,19)
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n/an/a 1.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85424
PNG
(Glucosamine analog, 8)
Show SMILES OCC1OC(O)C(NC(=O)c2cccc(c2)N(=O)=O)C(O)C1O
Show InChI InChI=1S/C13H16N2O8/c16-5-8-10(17)11(18)9(13(20)23-8)14-12(19)6-2-1-3-7(4-6)15(21)22/h1-4,8-11,13,16-18,20H,5H2,(H,14,19)
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n/an/a 6.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85420
PNG
(Glucosamine analog, 1)
Show SMILES OCC1OC(O)C(NC(=O)c2ccccc2)C(O)C1O
Show InChI InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)
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n/an/a 7.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(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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400n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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500n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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600n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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1.20E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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1.20E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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1.70E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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1.70E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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2.40E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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2.60E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma brucei)
BDBM43835
PNG
(Glucosamine derivative, 8 | MLS000582359 | N-cyclo...)
Show SMILES [O-][N+](=O)c1ccc(N2CCCCC2)c(c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C18H25N3O3/c22-18(19-14-7-3-1-4-8-14)16-13-15(21(23)24)9-10-17(16)20-11-5-2-6-12-20/h9-10,13-14H,1-8,11-12H2,(H,19,22)
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2.80E+3 -31.7 5.00E+5n/an/an/an/an/a25



Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique



Assay Description
Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...


Chem Biol 9: 839-47 (2002)


Article DOI: 10.1016/S1074-5521(02)00169-2
BindingDB Entry DOI: 10.7270/Q2MC8XF1
More data for this
Ligand-Target Pair
Hexokinase


(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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2.80E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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2.80E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169013
PNG
(CHEMBL3805703)
Show SMILES OC[C@H]1OC(O)[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H17Cl2NO6/c16-8-3-1-7(5-9(8)17)2-4-11(20)18-12-14(22)13(21)10(6-19)24-15(12)23/h1-5,10,12-15,19,21-23H,6H2,(H,18,20)/b4-2+/t10-,12-,13-,14-,15?/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) assessed as formation of G6P by continuou...


ACS Med Chem Lett 7: 217-22 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00214
BindingDB Entry DOI: 10.7270/Q2PR7XWW
More data for this
Ligand-Target Pair
Hexokinase


(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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2.90E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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3.30E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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3.40E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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4.30E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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4.30E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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6.00E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma brucei)
BDBM43833
PNG
(2-hydroxy-N''''-(3-keto-5,5-dimethyl-cyclohexen-1-...)
Show SMILES CC1(C)CC(=O)C=C(C1)NNC(=O)c1ccccc1O
Show InChI InChI=1S/C15H18N2O3/c1-15(2)8-10(7-11(18)9-15)16-17-14(20)12-5-3-4-6-13(12)19/h3-7,16,19H,8-9H2,1-2H3,(H,17,20)
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8.00E+3 -29.1 2.00E+6n/an/an/an/an/a25



Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique



Assay Description
Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...


Chem Biol 9: 839-47 (2002)


Article DOI: 10.1016/S1074-5521(02)00169-2
BindingDB Entry DOI: 10.7270/Q2MC8XF1
More data for this
Ligand-Target Pair
Hexokinase


(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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1.05E+4n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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1.06E+4n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(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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1.14E+4n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma brucei)
BDBM43832
PNG
(2-phenylcyclopropane-1,1-dicarboxylic acid diethyl...)
Show SMILES CCOC(=O)C1(CC1c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C15H18O4/c1-3-18-13(16)15(14(17)19-4-2)10-12(15)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
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1.90E+4 -26.9 4.00E+5n/an/an/an/an/a25



Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique



Assay Description
Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...


Chem Biol 9: 839-47 (2002)


Article DOI: 10.1016/S1074-5521(02)00169-2
BindingDB Entry DOI: 10.7270/Q2MC8XF1
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma brucei)
BDBM43834
PNG
(2-methoxy-4-[[4-(4-methylphenyl)-1-piperazinyl]met...)
Show SMILES COc1cc(CN2CCN(CC2)c2ccc(C)cc2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C19H23N3O4/c1-14-3-5-16(6-4-14)21-9-7-20(8-10-21)13-15-11-17(22(24)25)19(23)18(12-15)26-2/h3-6,11-12,23H,7-10,13H2,1-2H3
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2.50E+4 -26.3 3.00E+6n/an/an/an/an/a25



Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique



Assay Description
Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...


Chem Biol 9: 839-47 (2002)


Article DOI: 10.1016/S1074-5521(02)00169-2
BindingDB Entry DOI: 10.7270/Q2MC8XF1
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma brucei)
BDBM43838
PNG
(4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...)
Show SMILES COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C25H24BrNO7/c1-25(34-21(29)11-10-20(28)33-3)23(30)18-13-27(15-6-7-15)19(12-17(18)22(26)24(25)31)14-4-8-16(32-2)9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3
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3.00E+4 -25.8 3.00E+6n/an/an/an/an/a25



Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique



Assay Description
Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...


Chem Biol 9: 839-47 (2002)


Article DOI: 10.1016/S1074-5521(02)00169-2
BindingDB Entry DOI: 10.7270/Q2MC8XF1
More data for this
Ligand-Target Pair
Hexokinase


(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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4.39E+4n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma brucei)
BDBM43837
PNG
((4S,5R,6R)-1-(2-ethoxy-2-keto-ethyl)-2-keto-6-meth...)
Show SMILES CCOC(=O)CN1[C@H](C)[C@@H]([C@H](CCc2ccccc2)NC1=O)C(=O)OC
Show InChI InChI=1S/C19H26N2O5/c1-4-26-16(22)12-21-13(2)17(18(23)25-3)15(20-19(21)24)11-10-14-8-6-5-7-9-14/h5-9,13,15,17H,4,10-12H2,1-3H3,(H,20,24)/t13-,15+,17+/m1/s1
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7.00E+4 -23.7 3.00E+6n/an/an/an/an/a25



Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique



Assay Description
Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...


Chem Biol 9: 839-47 (2002)


Article DOI: 10.1016/S1074-5521(02)00169-2
BindingDB Entry DOI: 10.7270/Q2MC8XF1
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma brucei)
BDBM43836
PNG
(Glucosamine derivative, 9 | MLS000580208 | N-(2,5-...)
Show SMILES COc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3cccnc23)c1
Show InChI InChI=1S/C24H21N3O5S/c1-31-17-12-13-21(32-2)20(15-17)26-24(28)18-9-3-4-10-19(18)27-33(29,30)22-11-5-7-16-8-6-14-25-23(16)22/h3-15,27H,1-2H3,(H,26,28)
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1.00E+5 -22.8 4.00E+6n/an/an/an/an/a25



Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique



Assay Description
Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...


Chem Biol 9: 839-47 (2002)


Article DOI: 10.1016/S1074-5521(02)00169-2
BindingDB Entry DOI: 10.7270/Q2MC8XF1
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma brucei)
BDBM43829
PNG
(Glucosamine derivative, 2 | MLS000568543 | SMR0001...)
Show SMILES Oc1ccccc1N1CCN(CC1)C(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C20H19N3O2/c24-19-8-4-3-7-18(19)22-11-13-23(14-12-22)20(25)17-10-9-15-5-1-2-6-16(15)21-17/h1-10,24H,11-14H2
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1.00E+5 -22.8 6.00E+6n/an/an/an/an/a25



Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique



Assay Description
Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...


Chem Biol 9: 839-47 (2002)


Article DOI: 10.1016/S1074-5521(02)00169-2
BindingDB Entry DOI: 10.7270/Q2MC8XF1
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma brucei)
BDBM43830
PNG
(5-(amoxymethyl)-3-[2-[(4-phenylthiazol-2-yl)hydraz...)
Show SMILES CCCCCOCC1CC(CC(C)N=Nc2nc(cs2)-c2ccccc2)C(=O)O1
Show InChI InChI=1S/C22H29N3O3S/c1-3-4-8-11-27-14-19-13-18(21(26)28-19)12-16(2)24-25-22-23-20(15-29-22)17-9-6-5-7-10-17/h5-7,9-10,15-16,18-19H,3-4,8,11-14H2,1-2H3
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1.05E+5 -22.7 4.50E+6n/an/an/an/an/a25



Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique



Assay Description
Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...


Chem Biol 9: 839-47 (2002)


Article DOI: 10.1016/S1074-5521(02)00169-2
BindingDB Entry DOI: 10.7270/Q2MC8XF1
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma brucei)
BDBM43831
PNG
(5-(4-fluorobenzyl)-4-keto-6,7-dihydropyrazolo[1,5-...)
Show SMILES COC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCn2n1
Show InChI InChI=1S/C15H14FN3O3/c1-22-15(21)12-8-13-14(20)18(6-7-19(13)17-12)9-10-2-4-11(16)5-3-10/h2-5,8H,6-7,9H2,1H3
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1.14E+5 -22.5 1.80E+6n/an/an/an/an/a25



Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique



Assay Description
Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...


Chem Biol 9: 839-47 (2002)


Article DOI: 10.1016/S1074-5521(02)00169-2
BindingDB Entry DOI: 10.7270/Q2MC8XF1
More data for this
Ligand-Target Pair
Hexokinase type II


(Rattus norvegicus)
BDBM50367096
PNG
(CHEMBL609929)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(25)9(23)5(36-15)1-34-40(28,29)38-42(32,33)39-41(30,31)35-2-6-8(22)10(24)12(26)16(27)37-6/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H,32,33)(H2,17,18,19)/t5-,6+,8+,9-,10-,11-,12+,15?,16-/m1/s1
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2.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition constant Ki against Hexokinase, type II


J Med Chem 25: 801-5 (1982)


Article DOI: 10.1021/jm00349a007
BindingDB Entry DOI: 10.7270/Q2BZ66M6
More data for this
Ligand-Target Pair
Hexokinase


(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
Hexokinase


(Trypanosoma cruzi)
BDBM50135819
PNG
((Bis-phosphono-methyl)-cyclopropyl-ammonium | (cyc...)
Show SMILES OP(O)(O)C(=NC1CC1)P(O)(O)=O
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
Hexokinase


(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
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
Hexokinase


(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
Hexokinase


(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
Hexokinase


(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
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