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Compile Data Set for Download or QSAR

Found 266 hits of ic50 for UniProtKB: P04406   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50096597
PNG
(CHEMBL174337 | CHEMBL3350919 | NAD+ analogue)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)O[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C39H40N8O15P2/c1-57-25-12-5-9-22(15-25)36(52)45-28-30(48)27(18-58-63(53,54)62-64(55,56)61-39-32(50)31(49)38(60-39)46-14-6-11-24(17-46)33(40)51)59-37(28)47-20-44-29-34(42-19-43-35(29)47)41-16-23-10-4-8-21-7-2-3-13-26(21)23/h2-15,17,19-20,27-28,30-32,37-39,48-50H,16,18H2,1H3,(H5-,40,41,42,43,45,51,52,53,54,55,56)/p-1/t27-,28-,30-,31-,32+,37-,38-,39-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


Bioorg Med Chem Lett 11: 95-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00608-9
BindingDB Entry DOI: 10.7270/Q2F76D3N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50144452
PNG
(Adenosine analogue | CHEMBL3559427 | CHEMBL71738)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H](C(O)C2O)[n+]2ccc(cc2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C40H42N8O15P2/c1-58-26-10-5-8-24(16-26)38(53)46-30-32(49)28(61-39(30)48-21-45-31-36(43-20-44-37(31)48)42-17-25-9-4-7-22-6-2-3-11-27(22)25)18-59-64(54,55)63-65(56,57)60-19-29-33(50)34(51)40(62-29)47-14-12-23(13-15-47)35(41)52/h2-16,20-21,28-30,32-34,39-40,49-51H,17-19H2,1H3,(H5-,41,42,43,44,46,52,53,54,55,56,57)/p-1/t28-,29-,30?,32?,33?,34?,39-,40-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against glyceraldehyde-3-phosphate dehydrogenase was determined


Bioorg Med Chem Lett 14: 2199-204 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.025
BindingDB Entry DOI: 10.7270/Q20K2810
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50096597
PNG
(CHEMBL174337 | CHEMBL3350919 | NAD+ analogue)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)O[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C39H40N8O15P2/c1-57-25-12-5-9-22(15-25)36(52)45-28-30(48)27(18-58-63(53,54)62-64(55,56)61-39-32(50)31(49)38(60-39)46-14-6-11-24(17-46)33(40)51)59-37(28)47-20-44-29-34(42-19-43-35(29)47)41-16-23-10-4-8-21-7-2-3-13-26(21)23/h2-15,17,19-20,27-28,30-32,37-39,48-50H,16,18H2,1H3,(H5-,40,41,42,43,45,51,52,53,54,55,56)/p-1/t27-,28-,30-,31-,32+,37-,38-,39-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


Bioorg Med Chem Lett 11: 95-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00608-9
BindingDB Entry DOI: 10.7270/Q2F76D3N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50096597
PNG
(CHEMBL174337 | CHEMBL3350919 | NAD+ analogue)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)O[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C39H40N8O15P2/c1-57-25-12-5-9-22(15-25)36(52)45-28-30(48)27(18-58-63(53,54)62-64(55,56)61-39-32(50)31(49)38(60-39)46-14-6-11-24(17-46)33(40)51)59-37(28)47-20-44-29-34(42-19-43-35(29)47)41-16-23-10-4-8-21-7-2-3-13-26(21)23/h2-15,17,19-20,27-28,30-32,37-39,48-50H,16,18H2,1H3,(H5-,40,41,42,43,45,51,52,53,54,55,56)/p-1/t27-,28-,30-,31-,32+,37-,38-,39-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


Bioorg Med Chem Lett 11: 95-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00608-9
BindingDB Entry DOI: 10.7270/Q2F76D3N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50030947
PNG
(CHEMBL331845 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H20N6O5/c1-28-10-4-2-3-9(5-10)17(27)23-12-14(26)11(6-25)29-18(12)24-8-22-13-15(19)20-7-21-16(13)24/h2-5,7-8,11-12,14,18,25-26H,6H2,1H3,(H,23,27)(H2,19,20,21)
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n/an/a 300n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Leishmania mexicana


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50030949
PNG
((2R,3R,4S,5R)-2-(6-Amino-8-thiophen-2-yl-purin-9-y...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1cccs1
Show InChI InChI=1S/C14H15N5O4S/c15-11-8-13(17-5-16-11)19(12(18-8)7-2-1-3-24-7)14-10(22)9(21)6(4-20)23-14/h1-3,5-6,9-10,14,20-22H,4H2,(H2,15,16,17)/t6-,9-,10-,14-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Leishmania mexicana


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50114360
PNG
(CHEMBL256155)
Show SMILES O=C1C=C(Oc2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C16H10O3/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10H
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n/an/a 590n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GAPDH assessed as oxidative phosphorylation of D-glyceraldehyde-3-phosphate to 1,3-bisphosphoglycerate by spectrophot...


J Med Chem 58: 6422-34 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00748
BindingDB Entry DOI: 10.7270/Q29K4D2N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50030949
PNG
((2R,3R,4S,5R)-2-(6-Amino-8-thiophen-2-yl-purin-9-y...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1cccs1
Show InChI InChI=1S/C14H15N5O4S/c15-11-8-13(17-5-16-11)19(12(18-8)7-2-1-3-24-7)14-10(22)9(21)6(4-20)23-14/h1-3,5-6,9-10,14,20-22H,4H2,(H2,15,16,17)/t6-,9-,10-,14-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyd 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50030949
PNG
((2R,3R,4S,5R)-2-(6-Amino-8-thiophen-2-yl-purin-9-y...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1cccs1
Show InChI InChI=1S/C14H15N5O4S/c15-11-8-13(17-5-16-11)19(12(18-8)7-2-1-3-24-7)14-10(22)9(21)6(4-20)23-14/h1-3,5-6,9-10,14,20-22H,4H2,(H2,15,16,17)/t6-,9-,10-,14-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50114357
PNG
(CHEMBL3604082)
Show SMILES COc1cccc2C(=O)C=C(Oc3ccc(F)cc3)C(=O)c12
Show InChI InChI=1S/C17H11FO4/c1-21-14-4-2-3-12-13(19)9-15(17(20)16(12)14)22-11-7-5-10(18)6-8-11/h2-9H,1H3
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n/an/a 1.34E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GAPDH assessed as oxidative phosphorylation of D-glyceraldehyde-3-phosphate to 1,3-bisphosphoglycerate by spectrophot...


J Med Chem 58: 6422-34 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00748
BindingDB Entry DOI: 10.7270/Q29K4D2N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50114358
PNG
(CHEMBL3604098)
Show SMILES COc1ccc(OC2=CC(=O)c3cc4ccccc4cc3C2=O)cc1
Show InChI InChI=1S/C21H14O4/c1-24-15-6-8-16(9-7-15)25-20-12-19(22)17-10-13-4-2-3-5-14(13)11-18(17)21(20)23/h2-12H,1H3
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n/an/a 1.41E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GAPDH assessed as oxidative phosphorylation of D-glyceraldehyde-3-phosphate to 1,3-bisphosphoglycerate by spectrophot...


J Med Chem 58: 6422-34 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00748
BindingDB Entry DOI: 10.7270/Q29K4D2N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50096598
PNG
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Trypanosoma mexicana glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


Bioorg Med Chem Lett 11: 95-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00608-9
BindingDB Entry DOI: 10.7270/Q2F76D3N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50030947
PNG
(CHEMBL331845 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H20N6O5/c1-28-10-4-2-3-9(5-10)17(27)23-12-14(26)11(6-25)29-18(12)24-8-22-13-15(19)20-7-21-16(13)24/h2-5,7-8,11-12,14,18,25-26H,6H2,1H3,(H,23,27)(H2,19,20,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31759
PNG
(2-[5-[(Z)-(3-bromanyl-8-oxidanylidene-[1,3]thiazol...)
Show SMILES OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
Show InChI InChI=1S/C20H10BrN3O4S/c21-10-7-14-17(22-9-10)24-18(25)16(29-20(24)23-14)8-11-5-6-15(28-11)12-3-1-2-4-13(12)19(26)27/h1-9H,(H,26,27)/b16-8-
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n/an/a 2.31E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50037775
PNG
(CHEMBL121204 | Thiophene-2-carboxylic acid [2-(6-a...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cccs1
Show InChI InChI=1S/C15H16N6O4S/c16-12-10-13(18-5-17-12)21(6-19-10)15-9(11(23)7(4-22)25-15)20-14(24)8-2-1-3-26-8/h1-3,5-7,9,11,15,22-23H,4H2,(H,20,24)(H2,16,17,18)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Leishmania mexicana


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50114359
PNG
(CHEMBL3604105)
Show SMILES Oc1cccc2C(=O)C(Oc3ccccc3)=CC(=O)c12
Show InChI InChI=1S/C16H10O4/c17-12-8-4-7-11-15(12)13(18)9-14(16(11)19)20-10-5-2-1-3-6-10/h1-9,17H
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n/an/a 2.41E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GAPDH assessed as oxidative phosphorylation of D-glyceraldehyde-3-phosphate to 1,3-bisphosphoglycerate by spectrophot...


J Med Chem 58: 6422-34 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00748
BindingDB Entry DOI: 10.7270/Q29K4D2N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50037777
PNG
(CHEMBL120653 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccccc1
Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-11(13(25)10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Leishmania mexicana


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50068147
PNG
(CHEMBL356360 | N-{4-Hydroxy-5-hydroxymethyl-2-[6-(...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3C)ncnc12
Show InChI InChI=1S/C26H28N6O5/c1-15-6-3-4-7-17(15)11-27-23-21-24(29-13-28-23)32(14-30-21)26-20(22(34)19(12-33)37-26)31-25(35)16-8-5-9-18(10-16)36-2/h3-10,13-14,19-20,22,26,33-34H,11-12H2,1-2H3,(H,31,35)(H,27,28,29)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity measured for Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in Leishmania. mexicana


J Med Chem 41: 4790-9 (1998)


Article DOI: 10.1021/jm9802620
BindingDB Entry DOI: 10.7270/Q2Q240ZW
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100469
PNG
(CHEMBL303342 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12
Show InChI InChI=1S/C31H32N6O7/c1-41-20-8-17-6-4-5-7-23(17)19(11-20)13-32-28-26-29(34-15-33-28)37(16-35-26)31-25(27(39)24(14-38)44-31)36-30(40)18-9-21(42-2)12-22(10-18)43-3/h4-12,15-16,24-25,27,31,38-39H,13-14H2,1-3H3,(H,36,40)(H,32,33,34)/t24-,25-,27-,31-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma brucei GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50037775
PNG
(CHEMBL121204 | Thiophene-2-carboxylic acid [2-(6-a...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cccs1
Show InChI InChI=1S/C15H16N6O4S/c16-12-10-13(18-5-17-12)21(6-19-10)15-9(11(23)7(4-22)25-15)20-14(24)8-2-1-3-26-8/h1-3,5-7,9,11,15,22-23H,4H2,(H,20,24)(H2,16,17,18)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50096598
PNG
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Trypanosoma mexicana glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


Bioorg Med Chem Lett 11: 95-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00608-9
BindingDB Entry DOI: 10.7270/Q2F76D3N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100483
PNG
(CHEMBL63338 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O
Show InChI InChI=1S/C31H32N6O6/c1-41-22-10-21(11-23(12-22)42-2)31(40)36-26-24(43-25(15-38)28(26)39)14-37-17-35-27-29(33-16-34-30(27)37)32-13-18-7-8-19-5-3-4-6-20(19)9-18/h3-12,16-17,24-26,28,38-39H,13-15H2,1-2H3,(H,36,40)(H,32,33,34)/t24?,25?,26-,28+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma cruzi GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50144451
PNG
(CHEMBL307758 | Phosphoric acid mono-((2R,5R)-3-hyd...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23?,25?,29-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against glyceraldehyde-3-phosphate dehydrogenase was determined


Bioorg Med Chem Lett 14: 2199-204 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.025
BindingDB Entry DOI: 10.7270/Q20K2810
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM41877
PNG
(4,5,6,7-tetrachloro-2-(1H-1,2,4-triazol-5-yl)isoin...)
Show SMILES Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc[nH]1
Show InChI InChI=1S/C10H2Cl4N4O2/c11-4-2-3(5(12)7(14)6(4)13)9(20)18(8(2)19)10-15-1-16-17-10/h1H,(H,15,16,17)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50068153
PNG
(CHEMBL144953 | N-{2-[6-(2,3-Dimethyl-benzylamino)-...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3cccc(C)c3C)ncnc12
Show InChI InChI=1S/C27H30N6O5/c1-15-6-4-8-18(16(15)2)11-28-24-22-25(30-13-29-24)33(14-31-22)27-21(23(35)20(12-34)38-27)32-26(36)17-7-5-9-19(10-17)37-3/h4-10,13-14,20-21,23,27,34-35H,11-12H2,1-3H3,(H,32,36)(H,28,29,30)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity measured for Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in Leishmania. mexicana


J Med Chem 41: 4790-9 (1998)


Article DOI: 10.1021/jm9802620
BindingDB Entry DOI: 10.7270/Q2Q240ZW
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50368901
PNG
(CHEMBL608348)
Show SMILES Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H15N5O4/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(19)7(18)5(2-17)20-11/h3,5,7-8,11,17-19H,2H2,1H3,(H2,12,14,15)/t5-,7-,8-,11?/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Leishmania mexicana


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50037777
PNG
(CHEMBL120653 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccccc1
Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-11(13(25)10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50096600
PNG
(CHEMBL464924 | N-((2R,3R,4S,5R)-4-Hydroxy-5-hydrox...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C29H28N6O5/c1-39-20-10-5-8-18(12-20)28(38)34-23-25(37)22(14-36)40-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36-37H,13-14H2,1H3,(H,34,38)(H,30,31,32)/t22-,23-,25-,29-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


Bioorg Med Chem Lett 11: 95-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00608-9
BindingDB Entry DOI: 10.7270/Q2F76D3N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100470
PNG
(CHEMBL303595 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O6/c1-40-21-11-10-18(12-22(21)41-2)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-19-8-5-7-17-6-3-4-9-20(17)19/h3-12,15-16,23-24,26,30,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma cruzi GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100471
PNG
(CHEMBL303934 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O6/c1-40-20-10-19(11-21(12-20)41-2)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-18-8-5-7-17-6-3-4-9-22(17)18/h3-12,15-16,23-24,26,30,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma brucei GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100469
PNG
(CHEMBL303342 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12
Show InChI InChI=1S/C31H32N6O7/c1-41-20-8-17-6-4-5-7-23(17)19(11-20)13-32-28-26-29(34-15-33-28)37(16-35-26)31-25(27(39)24(14-38)44-31)36-30(40)18-9-21(42-2)12-22(10-18)43-3/h4-12,15-16,24-25,27,31,38-39H,13-14H2,1-3H3,(H,36,40)(H,32,33,34)/t24-,25-,27-,31-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma cruzi GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50096598
PNG
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


Bioorg Med Chem Lett 11: 95-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00608-9
BindingDB Entry DOI: 10.7270/Q2F76D3N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100471
PNG
(CHEMBL303934 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O6/c1-40-20-10-19(11-21(12-20)41-2)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-18-8-5-7-17-6-3-4-9-22(17)18/h3-12,15-16,23-24,26,30,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma cruzi GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50368901
PNG
(CHEMBL608348)
Show SMILES Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H15N5O4/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(19)7(18)5(2-17)20-11/h3,5,7-8,11,17-19H,2H2,1H3,(H2,12,14,15)/t5-,7-,8-,11?/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM81264
PNG
(5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...)
Show SMILES NCCc1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Inhibition of GAPDH


Nat Chem Biol 3: 55-9 (2007)


Article DOI: 10.1038/nchembio833
BindingDB Entry DOI: 10.7270/Q29W0FPQ
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100479
PNG
(CHEMBL303751 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O7/c1-41-20-9-17(10-21(11-20)42-2)29(40)35-24-26(39)23(13-37)43-30(24)36-15-34-25-27(32-14-33-28(25)36)31-12-18-8-19(38)7-16-5-3-4-6-22(16)18/h3-11,14-15,23-24,26,30,37-39H,12-13H2,1-2H3,(H,35,40)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma brucei GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100468
PNG
(CHEMBL291418 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O
Show InChI InChI=1S/C30H30N6O5/c1-40-22-8-4-7-21(12-22)30(39)35-25-23(41-24(15-37)27(25)38)14-36-17-34-26-28(32-16-33-29(26)36)31-13-18-9-10-19-5-2-3-6-20(19)11-18/h2-12,16-17,23-25,27,37-38H,13-15H2,1H3,(H,35,39)(H,31,32,33)/t23?,24?,25-,27+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma cruzi GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50037775
PNG
(CHEMBL121204 | Thiophene-2-carboxylic acid [2-(6-a...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cccs1
Show InChI InChI=1S/C15H16N6O4S/c16-12-10-13(18-5-17-12)21(6-19-10)15-9(11(23)7(4-22)25-15)20-14(24)8-2-1-3-26-8/h1-3,5-7,9,11,15,22-23H,4H2,(H,20,24)(H2,16,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50253982
PNG
(CHEMBL461194 | N-(2-hydroxyethyl)-3-(2,3,4-trichlo...)
Show SMILES OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C12H10Cl3N3O2/c13-7-2-1-6(10(14)11(7)15)8-5-9(18-17-8)12(20)16-3-4-19/h1-2,5,19H,3-4H2,(H,16,20)(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of GAPDH (unknown origin)


Bioorg Med Chem Lett 19: 222-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.107
BindingDB Entry DOI: 10.7270/Q2CR5T64
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50368901
PNG
(CHEMBL608348)
Show SMILES Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H15N5O4/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(19)7(18)5(2-17)20-11/h3,5,7-8,11,17-19H,2H2,1H3,(H2,12,14,15)/t5-,7-,8-,11?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50037777
PNG
(CHEMBL120653 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccccc1
Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-11(13(25)10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50422031
PNG
(8-Phenyladenosine | CHEMBL1775010)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5O4/c17-13-10-15(19-7-18-13)21(14(20-10)8-4-2-1-3-5-8)16-12(24)11(23)9(6-22)25-16/h1-5,7,9,11-12,16,22-24H,6H2,(H2,17,18,19)/t9-,11-,12-,16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50422031
PNG
(8-Phenyladenosine | CHEMBL1775010)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5O4/c17-13-10-15(19-7-18-13)21(14(20-10)8-4-2-1-3-5-8)16-12(24)11(23)9(6-22)25-16/h1-5,7,9,11-12,16,22-24H,6H2,(H2,17,18,19)/t9-,11-,12-,16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100479
PNG
(CHEMBL303751 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O7/c1-41-20-9-17(10-21(11-20)42-2)29(40)35-24-26(39)23(13-37)43-30(24)36-15-34-25-27(32-14-33-28(25)36)31-12-18-8-19(38)7-16-5-3-4-6-22(16)18/h3-11,14-15,23-24,26,30,37-39H,12-13H2,1-2H3,(H,35,40)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma cruzi GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100483
PNG
(CHEMBL63338 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O
Show InChI InChI=1S/C31H32N6O6/c1-41-22-10-21(11-23(12-22)42-2)31(40)36-26-24(43-25(15-38)28(26)39)14-37-17-35-27-29(33-16-34-30(27)37)32-13-18-7-8-19-5-3-4-6-20(19)9-18/h3-12,16-17,24-26,28,38-39H,13-15H2,1-2H3,(H,36,40)(H,32,33,34)/t24?,25?,26-,28+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma brucei GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50030947
PNG
(CHEMBL331845 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H20N6O5/c1-28-10-4-2-3-9(5-10)17(27)23-12-14(26)11(6-25)29-18(12)24-8-22-13-15(19)20-7-21-16(13)24/h2-5,7-8,11-12,14,18,25-26H,6H2,1H3,(H,23,27)(H2,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50144455
PNG
(CHEMBL71742 | N-((2R,5R)-4-Hydroxy-5-hydroxymethyl...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C29H28N6O5/c1-39-20-10-5-8-18(12-20)28(38)34-23-25(37)22(14-36)40-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36-37H,13-14H2,1H3,(H,34,38)(H,30,31,32)/t22-,23?,25?,29-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against glyceraldehyde-3-phosphate dehydrogenase was determined


Bioorg Med Chem Lett 14: 2199-204 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.025
BindingDB Entry DOI: 10.7270/Q20K2810
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100472
PNG
(CHEMBL63569 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O6/c1-40-20-8-5-7-18(11-20)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-19-12-21(41-2)10-17-6-3-4-9-22(17)19/h3-12,15-16,23-24,26,30,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
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University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma brucei GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100488
PNG
(CHEMBL431169 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
Show InChI InChI=1S/C29H28N6O6/c1-40-20-7-4-6-17(11-20)28(39)34-23-25(38)22(13-36)41-29(23)35-15-33-24-26(31-14-32-27(24)35)30-12-18-10-19(37)9-16-5-2-3-8-21(16)18/h2-11,14-15,22-23,25,29,36-38H,12-13H2,1H3,(H,34,39)(H,30,31,32)/t22-,23-,25-,29-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma cruzi GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50100474
PNG
(Acetic acid 3-acetoxy-5-(4-hydroxy-5-hydroxymethyl...)
Show SMILES CC(=O)Oc1cc(OC(C)=O)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C32H30N6O8/c1-17(40)44-22-10-21(11-23(12-22)45-18(2)41)31(43)37-26-28(42)25(14-39)46-32(26)38-16-36-27-29(34-15-35-30(27)38)33-13-20-8-5-7-19-6-3-4-9-24(19)20/h3-12,15-16,25-26,28,32,39,42H,13-14H2,1-2H3,(H,37,43)(H,33,34,35)/t25-,26-,28-,32-/m1/s1
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Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma cruzi GAPDH.


J Med Chem 44: 2080-93 (2001)


Article DOI: 10.1021/jm000472o
BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
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