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PubMed code 18789702

Compile data set for download or QSAR
Found 30 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
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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PubMed
 2.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina...

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345793
PNG
(2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...)
Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
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 4.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina...

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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 4.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina...

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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 4.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern...

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345793
PNG
(2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...)
Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
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 5.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina...

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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 6.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern...

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345793
PNG
(2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...)
Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
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 3.80E+4n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern...

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345793
PNG
(2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...)
Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
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 4.30E+4n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern...

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345793
PNG
(2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...)
Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345792
PNG
(2-hydroxy-6-nonylbenzoic acid | CHEMBL1784991)
Show SMILES CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(17)15(13)16(18)19/h9,11-12,17H,2-8,10H2,1H3,(H,18,19)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345788
PNG
(CHEMBL1784987 | ethyl 2-dodecyl-6-hydroxybenzoate)
Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(=O)OCC
Show InChI InChI=1S/C21H34O3/c1-3-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(22)20(18)21(23)24-4-2/h14,16-17,22H,3-13,15H2,1-2H3
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n/an/a 2.15E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345791
PNG
(2-hydroxy-6-(10-hydroxydecyl)benzoic acid | CHEMBL...)
Show SMILES OCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C17H26O4/c18-13-8-6-4-2-1-3-5-7-10-14-11-9-12-15(19)16(14)17(20)21/h9,11-12,18-19H,1-8,10,13H2,(H,20,21)
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n/an/a 2.40E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345784
PNG
(CHEMBL1784983 | ethyl 2-hydroxy-6-(6-hydroxyhexyl)...)
Show SMILES CCOC(=O)c1c(O)cccc1CCCCCCO
Show InChI InChI=1S/C15H22O4/c1-2-19-15(18)14-12(9-7-10-13(14)17)8-5-3-4-6-11-16/h7,9-10,16-17H,2-6,8,11H2,1H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345804
PNG
(CHEMBL1784982 | ethyl 2-dodecyl-6-methoxybenzoate)
Show SMILES CCCCCCCCCCCCc1cccc(OC)c1C(=O)OCC
Show InChI InChI=1S/C22H36O3/c1-4-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(24-3)21(19)22(23)25-5-2/h15,17-18H,4-14,16H2,1-3H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345803
PNG
(CHEMBL1784981 | ethyl 2-methoxy-6-nonylbenzoate)
Show SMILES CCCCCCCCCc1cccc(OC)c1C(=O)OCC
Show InChI InChI=1S/C19H30O3/c1-4-6-7-8-9-10-11-13-16-14-12-15-17(21-3)18(16)19(20)22-5-2/h12,14-15H,4-11,13H2,1-3H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345801
PNG
(CHEMBL1784979 | ethyl 2-methoxy-6-(8-(tetrahydro-2...)
Show SMILES CCOC(=O)c1c(CCCCCCCCOC2CCCCO2)cccc1OC
Show InChI InChI=1S/C23H36O5/c1-3-26-23(24)22-19(14-12-15-20(22)25-2)13-8-6-4-5-7-10-17-27-21-16-9-11-18-28-21/h12,14-15,21H,3-11,13,16-18H2,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345794
PNG
(2-hydroxy-6-(8-oxooctyl)benzoic acid | CHEMBL17849...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCCC=O
Show InChI InChI=1S/C15H20O4/c16-11-6-4-2-1-3-5-8-12-9-7-10-13(17)14(12)15(18)19/h7,9-11,17H,1-6,8H2,(H,18,19)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345790
PNG
(2-hydroxy-6-(8-hydroxyoctyl)benzoic acid | CHEMBL1...)
Show SMILES OCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C15H22O4/c16-11-6-4-2-1-3-5-8-12-9-7-10-13(17)14(12)15(18)19/h7,9-10,16-17H,1-6,8,11H2,(H,18,19)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345786
PNG
(CHEMBL1784985 | ethyl 2-hydroxy-6-(10-hydroxydecyl...)
Show SMILES CCOC(=O)c1c(O)cccc1CCCCCCCCCCO
Show InChI InChI=1S/C19H30O4/c1-2-23-19(22)18-16(13-11-14-17(18)21)12-9-7-5-3-4-6-8-10-15-20/h11,13-14,20-21H,2-10,12,15H2,1H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345787
PNG
(CHEMBL1784986 | ethyl 2-hydroxy-6-nonylbenzoate)
Show SMILES CCCCCCCCCc1cccc(O)c1C(=O)OCC
Show InChI InChI=1S/C18H28O3/c1-3-5-6-7-8-9-10-12-15-13-11-14-16(19)17(15)18(20)21-4-2/h11,13-14,19H,3-10,12H2,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345789
PNG
(2-hydroxy-6-(6-hydroxyhexyl)benzoic acid | CHEMBL1...)
Show SMILES OCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C13H18O4/c14-9-4-2-1-3-6-10-7-5-8-11(15)12(10)13(16)17/h5,7-8,14-15H,1-4,6,9H2,(H,16,17)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345785
PNG
(CHEMBL1784984 | ethyl 2-hydroxy-6-(8-hydroxyoctyl)...)
Show SMILES CCOC(=O)c1c(O)cccc1CCCCCCCCO
Show InChI InChI=1S/C17H26O4/c1-2-21-17(20)16-14(11-9-12-15(16)19)10-7-5-3-4-6-8-13-18/h9,11-12,18-19H,2-8,10,13H2,1H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345802
PNG
(CHEMBL1784980 | ethyl 2-methoxy-6-(10-(tetrahydro-...)
Show SMILES CCOC(=O)c1c(CCCCCCCCCCOC2CCCCO2)cccc1OC
Show InChI InChI=1S/C25H40O5/c1-3-28-25(26)24-21(16-14-17-22(24)27-2)15-10-8-6-4-5-7-9-12-19-29-23-18-11-13-20-30-23/h14,16-17,23H,3-13,15,18-20H2,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345800
PNG
(CHEMBL1784978 | ethyl 2-methoxy-6-(6-(tetrahydro-2...)
Show SMILES CCOC(=O)c1c(CCCCCCOC2CCCCO2)cccc1OC
Show InChI InChI=1S/C21H32O5/c1-3-24-21(22)20-17(12-10-13-18(20)23-2)11-6-4-5-8-15-25-19-14-7-9-16-26-19/h10,12-13,19H,3-9,11,14-16H2,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345796
PNG
(CHEMBL1785008 | E/Z-ethyl 2-methoxy-6-(8-(tetrahyd...)
Show SMILES CCOC(=O)c1c(OC)cccc1C=CCCCCCCOC1CCCCO1 |w:14.15|
Show InChI InChI=1S/C23H34O5/c1-3-26-23(24)22-19(14-12-15-20(22)25-2)13-8-6-4-5-7-10-17-27-21-16-9-11-18-28-21/h8,12-15,21H,3-7,9-11,16-18H2,1-2H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345798
PNG
(CHEMBL1784976 | E/Z-ethyl 2-methoxy-6-(non-1-enyl)...)
Show SMILES CCCCCCCC=Cc1cccc(OC)c1C(=O)OCC |w:7.6|
Show InChI InChI=1S/C19H28O3/c1-4-6-7-8-9-10-11-13-16-14-12-15-17(21-3)18(16)19(20)22-5-2/h11-15H,4-10H2,1-3H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345799
PNG
(CHEMBL1784977 | E/Z-ethyl 2-(dodec-1-enyl)-6-metho...)
Show SMILES CCCCCCCCCCC=Cc1cccc(OC)c1C(=O)OCC |w:10.9|
Show InChI InChI=1S/C22H34O3/c1-4-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(24-3)21(19)22(23)25-5-2/h14-18H,4-13H2,1-3H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345795
PNG
(CHEMBL1785007 | E/Z-ethyl 2-methoxy-6-(6-(tetrahyd...)
Show SMILES CCOC(=O)c1c(OC)cccc1C=CCCCCOC1CCCCO1 |w:14.15|
Show InChI InChI=1S/C21H30O5/c1-3-24-21(22)20-17(12-10-13-18(20)23-2)11-6-4-5-8-15-25-19-14-7-9-16-26-19/h6,10-13,19H,3-5,7-9,14-16H2,1-2H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)		BDBM50345797
PNG
(CHEMBL1785009 | E/Z-ethyl 2-methoxy-6-(10-(tetrahy...)
Show SMILES CCOC(=O)c1c(OC)cccc1C=CCCCCCCCCOC1CCCCO1 |w:14.15|
Show InChI InChI=1S/C25H38O5/c1-3-28-25(26)24-21(16-14-17-22(24)27-2)15-10-8-6-4-5-7-9-12-19-29-23-18-11-13-20-30-23/h10,14-17,23H,3-9,11-13,18-20H2,1-2H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate

Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%