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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50036680   
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


(Homo sapiens (Human))
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


(Homo sapiens (Human))
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


(Homo sapiens (Human))
BDBM50068142
PNG
(CHEMBL345010 | N-[2-(6-Benzylamino-purin-9-yl)-4-h...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C25H26N6O5/c1-35-17-9-5-8-16(10-17)24(34)30-19-21(33)18(12-32)36-25(19)31-14-29-20-22(27-13-28-23(20)31)26-11-15-6-3-2-4-7-15/h2-10,13-14,18-19,21,25,32-33H,11-12H2,1H3,(H,30,34)(H,26,27,28)
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n/an/a 1.60E+4n/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


(Homo sapiens (Human))
BDBM50068152
PNG
(CHEMBL146220 | N-{2-[6-(2,5-Dimethyl-benzylamino)-...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3cc(C)ccc3C)ncnc12
Show InChI InChI=1S/C27H30N6O5/c1-15-7-8-16(2)18(9-15)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)17-5-4-6-19(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 2.50E+4n/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


(Homo sapiens (Human))
BDBM50068155
PNG
(CHEMBL145711 | N-{4-Hydroxy-5-hydroxymethyl-2-[6-(...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3OC)ncnc12
Show InChI InChI=1S/C26H28N6O6/c1-36-17-8-5-7-15(10-17)25(35)31-20-22(34)19(12-33)38-26(20)32-14-30-21-23(28-13-29-24(21)32)27-11-16-6-3-4-9-18(16)37-2/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 2.50E+4n/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


(Homo sapiens (Human))
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 3.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity was measured for Glyceraldehyde-3-phosphate dehydrogenase in Trypanosoma brucei


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


(Homo sapiens (Human))
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 3.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity was measured for Glyceraldehyde-3-phosphate dehydrogenase in Trypanosoma cruzi.


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


(Homo sapiens (Human))
BDBM50085667
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-{6-[(naphthalen-1-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C21H21N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11,15,17-18,21,27-29H,8-9H2,(H,22,23,24)/t15-,17-,18-,21-/m1/s1
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n/an/a 1.50E+5n/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


(Homo sapiens (Human))
BDBM50068142
PNG
(CHEMBL345010 | N-[2-(6-Benzylamino-purin-9-yl)-4-h...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C25H26N6O5/c1-35-17-9-5-8-16(10-17)24(34)30-19-21(33)18(12-32)36-25(19)31-14-29-20-22(27-13-28-23(20)31)26-11-15-6-3-2-4-7-15/h2-10,13-14,18-19,21,25,32-33H,11-12H2,1H3,(H,30,34)(H,26,27,28)
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n/an/a 1.59E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity was measured for Glyceraldehyde-3-phosphate dehydrogenase in Trypanosoma cruzi.


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


(Homo sapiens (Human))
BDBM50068142
PNG
(CHEMBL345010 | N-[2-(6-Benzylamino-purin-9-yl)-4-h...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C25H26N6O5/c1-35-17-9-5-8-16(10-17)24(34)30-19-21(33)18(12-32)36-25(19)31-14-29-20-22(27-13-28-23(20)31)26-11-15-6-3-2-4-7-15/h2-10,13-14,18-19,21,25,32-33H,11-12H2,1H3,(H,30,34)(H,26,27,28)
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n/an/a 2.20E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity was measured for Glyceraldehyde-3-phosphate dehydrogenase in Trypanosoma brucei


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


(Homo sapiens (Human))
BDBM50367410
PNG
(CHEMBL606064)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(c3ccccc3)c3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C23H23N5O4/c29-11-16-19(30)20(31)23(32-16)28-13-26-18-21(24-12-25-22(18)28)27-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12-13,16-17,19-20,23,29-31H,11H2,(H,24,25,27)/t16-,19-,20-,23?/m1/s1
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n/an/a 2.40E+5n/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


(Homo sapiens (Human))
BDBM50068145
PNG
(CHEMBL358760 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C17H18N6O7/c18-14-11-15(20-4-19-14)23(5-21-11)17-10(13(28)9(3-24)30-17)22-16(29)6-1-7(25)12(27)8(26)2-6/h1-2,4-5,9-10,13,17,24-28H,3H2,(H,22,29)(H2,18,19,20)
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n/an/a 2.50E+5n/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


(Homo sapiens (Human))
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>2.70E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity was measured for Glyceraldehyde-3-phosphate dehydrogenase in human(erythrocytes)


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


(Homo sapiens (Human))
BDBM50369416
PNG
(CHEMBL611898)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3Sc3ccccc3CO)ncnc12 |r|
Show InChI InChI=1S/C24H25N5O5S/c30-10-15-6-2-4-8-18(15)35-17-7-3-1-5-14(17)9-25-22-19-23(27-12-26-22)29(13-28-19)24-21(33)20(32)16(11-31)34-24/h1-8,12-13,16,20-21,24,30-33H,9-11H2,(H,25,26,27)/t16-,20-,21-,24?/m1/s1
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n/an/a 3.40E+5n/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


(Homo sapiens (Human))
BDBM50368176
PNG
(CHEMBL603928)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCCc4ccccc34)ncnc12 |r|
Show InChI InChI=1S/C20H23N5O4/c26-8-14-16(27)17(28)20(29-14)25-10-23-15-18(21-9-22-19(15)25)24-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,9-10,13-14,16-17,20,26-28H,3,5,7-8H2,(H,21,22,24)/t13-,14-,16-,17-,20?/m1/s1
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n/an/a 3.60E+5n/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


(Homo sapiens (Human))
BDBM50068149
PNG
(CHEMBL344302 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...)
Show SMILES COc1cc(ccc1O)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H20N6O6/c1-29-10-4-8(2-3-9(10)26)17(28)23-12-14(27)11(5-25)30-18(12)24-7-22-13-15(19)20-6-21-16(13)24/h2-4,6-7,11-12,14,18,25-27H,5H2,1H3,(H,23,28)(H2,19,20,21)
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n/an/a 5.00E+5n/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


(Homo sapiens (Human))
BDBM50068142
PNG
(CHEMBL345010 | N-[2-(6-Benzylamino-purin-9-yl)-4-h...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C25H26N6O5/c1-35-17-9-5-8-16(10-17)24(34)30-19-21(33)18(12-32)36-25(19)31-14-29-20-22(27-13-28-23(20)31)26-11-15-6-3-2-4-7-15/h2-10,13-14,18-19,21,25,32-33H,11-12H2,1H3,(H,30,34)(H,26,27,28)
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n/an/a>5.30E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity was measured for Glyceraldehyde-3-phosphate dehydrogenase in human(erythrocytes)


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


(Homo sapiens (Human))
BDBM50068148
PNG
(CHEMBL145415 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...)
Show SMILES COc1cccc(C(=O)NC2C(O)C(CO)OC2n2cnc3c(N)ncnc23)c1O
Show InChI InChI=1S/C18H20N6O6/c1-29-9-4-2-3-8(13(9)26)17(28)23-11-14(27)10(5-25)30-18(11)24-7-22-12-15(19)20-6-21-16(12)24/h2-4,6-7,10-11,14,18,25-27H,5H2,1H3,(H,23,28)(H2,19,20,21)
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n/an/a 6.00E+5n/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


(Homo sapiens (Human))
BDBM50068143
PNG
(CHEMBL145324 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H18N6O6/c18-14-12-15(20-5-19-14)23(6-21-12)17-11(13(27)10(4-24)29-17)22-16(28)7-1-8(25)3-9(26)2-7/h1-3,5-6,10-11,13,17,24-27H,4H2,(H,22,28)(H2,18,19,20)
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n/an/a 6.50E+5n/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


(Homo sapiens (Human))
BDBM50369411
PNG
(CHEMBL611004)
Show SMILES Cc1cccc(CNc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
Show InChI InChI=1S/C18H21N5O4/c1-10-3-2-4-11(5-10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18?/m1/s1
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n/an/a 7.00E+5n/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


(Homo sapiens (Human))
BDBM50080390
PNG
((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)
Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
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n/an/a 7.00E+5n/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


(Homo sapiens (Human))
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 8.00E+5n/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


(Homo sapiens (Human))
BDBM50068150
PNG
(CHEMBL145212 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H18N6O5/c18-14-12-15(20-6-19-14)23(7-21-12)17-11(13(26)10(5-24)28-17)22-16(27)8-2-1-3-9(25)4-8/h1-4,6-7,10-11,13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)
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n/an/a 8.50E+5n/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


(Homo sapiens (Human))
BDBM50068157
PNG
(CHEMBL145698 | N-[4-Hydroxy-5-hydroxymethyl-2-(6-i...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NC(=O)C(C)C)ncnc12
Show InChI InChI=1S/C22H26N6O6/c1-11(2)20(31)27-18-16-19(24-9-23-18)28(10-25-16)22-15(17(30)14(8-29)34-22)26-21(32)12-5-4-6-13(7-12)33-3/h4-7,9-11,14-15,17,22,29-30H,8H2,1-3H3,(H,26,32)(H,23,24,27,31)
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n/an/a 1.20E+6n/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


(Homo sapiens (Human))
BDBM50408666
PNG
(CHEMBL2113430)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12 |r|
Show InChI InChI=1S/C17H25N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-1-2-4-6-10/h8-11,13-14,17,23-25H,1-7H2,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
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n/an/a 1.80E+6n/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


(Homo sapiens (Human))
BDBM50369417
PNG
(CHEMBL608459)
Show SMILES Nc1ccc(CNc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C17H20N6O4/c18-10-3-1-9(2-4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6,18H2,(H,19,20,21)/t11-,13-,14-,17?/m1/s1
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n/an/a 3.10E+6n/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


(Homo sapiens (Human))
BDBM50369414
PNG
(CHEMBL608746)
Show SMILES CC(C)CCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H23N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-9,11-12,15,21-23H,3-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15?/m1/s1
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n/an/a 3.70E+6n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity was 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


(Homo sapiens (Human))
BDBM50241166
PNG
((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
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n/an/a 4.20E+6n/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


(Homo sapiens (Human))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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n/an/a>5.00E+6n/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


(Homo sapiens (Human))
BDBM50369413
PNG
(CHEMBL610981)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-c1ncnc2n(cnc12)-[#6]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15?/m1/s1
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n/an/a>5.00E+6n/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


(Homo sapiens (Human))
BDBM50369415
PNG
(CHEMBL608350)
Show SMILES CCC(C)CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H23N5O4/c1-3-8(2)4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-9,11-12,15,21-23H,3-5H2,1-2H3,(H,16,17,18)/t8?,9-,11-,12-,15?/m1/s1
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n/an/a>5.40E+6n/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


(Homo sapiens (Human))
BDBM50369412
PNG
(CHEMBL608173)
Show SMILES CC(CO)CCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)/t8?,9-,11-,12-,15?/m1/s1
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n/an/a 3.40E+7n/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


(Homo sapiens (Human))
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/a 5.00E+7n/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