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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with Target = 'Glyceraldehyde-3-phosphate dehydrogenase cytosolic' AND taxid = 5665   
Target
(Institution)
LigandTarget
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 cytosolic


(Leishmania mexicana)
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 2.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
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 2.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
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 2.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
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 2.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
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 2.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
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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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
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 4.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100475
PNG
(3-Chloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3-hyd...)
Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cccc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
Show InChI InChI=1S/C28H25ClN6O5/c29-18-6-3-5-16(8-18)27(39)34-22-24(38)21(12-36)40-28(22)35-14-33-23-25(31-13-32-26(23)35)30-11-17-10-19(37)9-15-4-1-2-7-20(15)17/h1-10,13-14,21-22,24,28,36-38H,11-12H2,(H,34,39)(H,30,31,32)/t21-,22-,24-,28-/m1/s1
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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 against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100465
PNG
(3,5-Dihydroxy-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(...)
Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(O)cc(O)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C28H26N6O6/c35-12-21-24(38)22(33-27(39)17-8-18(36)10-19(37)9-17)28(40-21)34-14-32-23-25(30-13-31-26(23)34)29-11-16-6-3-5-15-4-1-2-7-20(15)16/h1-10,13-14,21-22,24,28,35-38H,11-12H2,(H,33,39)(H,29,30,31)/t21-,22-,24-,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
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100486
PNG
(3-Chloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(napht...)
Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cccc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C28H25ClN6O4/c29-19-9-4-7-17(11-19)27(38)34-22-24(37)21(13-36)39-28(22)35-15-33-23-25(31-14-32-26(23)35)30-12-18-8-3-6-16-5-1-2-10-20(16)18/h1-11,14-15,21-22,24,28,36-37H,12-13H2,(H,34,38)(H,30,31,32)/t21-,22-,24-,28-/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 activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
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 6.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100482
PNG
(CHEMBL62124 | 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(NCc3ccc(OC)c4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O6/c1-40-19-7-5-6-17(12-19)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-18-10-11-22(41-2)21-9-4-3-8-20(18)21/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 6.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
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 activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
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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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100473
PNG
(Acetic acid 4-(4-hydroxy-5-hydroxymethyl-2-{6-[(na...)
Show SMILES COc1cc(ccc1OC(C)=O)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C31H30N6O7/c1-17(39)43-22-11-10-19(12-23(22)42-2)30(41)36-25-27(40)24(14-38)44-31(25)37-16-35-26-28(33-15-34-29(26)37)32-13-20-8-5-7-18-6-3-4-9-21(18)20/h3-12,15-16,24-25,27,31,38,40H,13-14H2,1-2H3,(H,36,41)(H,32,33,34)/t24-,25-,27-,31-/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
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100492
PNG
(4-Hydroxy-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(naph...)
Show SMILES COc1cc(ccc1O)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C29H28N6O6/c1-40-21-11-17(9-10-20(21)37)28(39)34-23-25(38)22(13-36)41-29(23)35-15-33-24-26(31-14-32-27(24)35)30-12-18-7-4-6-16-5-2-3-8-19(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 1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100476
PNG
(3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(n...)
Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C28H24Cl2N6O4/c29-18-8-17(9-19(30)10-18)27(39)35-22-24(38)21(12-37)40-28(22)36-14-34-23-25(32-13-33-26(23)36)31-11-16-6-3-5-15-4-1-2-7-20(15)16/h1-10,13-14,21-22,24,28,37-38H,11-12H2,(H,35,39)(H,31,32,33)/t21-,22-,24-,28-/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
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100494
PNG
(3,4-Dihydroxy-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(...)
Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C28H26N6O6/c35-12-21-24(38)22(33-27(39)16-8-9-19(36)20(37)10-16)28(40-21)34-14-32-23-25(30-13-31-26(23)34)29-11-17-6-3-5-15-4-1-2-7-18(15)17/h1-10,13-14,21-22,24,28,35-38H,11-12H2,(H,33,39)(H,29,30,31)/t21-,22-,24-,28-/m1/s1
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PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100489
PNG
(CHEMBL65303 | N-[2-(6-Benzylamino-purin-9-ylmethyl...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccccc4)ncnc23)OC(CO)[C@@H]1O
Show InChI InChI=1S/C27H30N6O6/c1-37-18-8-17(9-19(10-18)38-2)27(36)32-22-20(39-21(13-34)24(22)35)12-33-15-31-23-25(29-14-30-26(23)33)28-11-16-6-4-3-5-7-16/h3-10,14-15,20-22,24,34-35H,11-13H2,1-2H3,(H,32,36)(H,28,29,30)/t20?,21?,22-,24+/m1/s1
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PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100495
PNG
(3-Hydroxy-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(naph...)
Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cccc(O)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C28H26N6O5/c35-13-21-24(37)22(33-27(38)17-7-4-9-19(36)11-17)28(39-21)34-15-32-23-25(30-14-31-26(23)34)29-12-18-8-3-6-16-5-1-2-10-20(16)18/h1-11,14-15,21-22,24,28,35-37H,12-13H2,(H,33,38)(H,29,30,31)/t21-,22-,24-,28-/m1/s1
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100467
PNG
(3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3...)
Show SMILES COc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2c1
Show InChI InChI=1S/C29H26Cl2N6O5/c1-41-20-8-15-4-2-3-5-21(15)17(9-20)11-32-26-24-27(34-13-33-26)37(14-35-24)29-23(25(39)22(12-38)42-29)36-28(40)16-6-18(30)10-19(31)7-16/h2-10,13-14,22-23,25,29,38-39H,11-12H2,1H3,(H,36,40)(H,32,33,34)/t22-,23-,25-,29-/m1/s1
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100493
PNG
(3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(n...)
Show SMILES OCC1OC(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@H]1O
Show InChI InChI=1S/C29H26Cl2N6O4/c30-20-8-19(9-21(31)10-20)29(40)36-24-22(41-23(13-38)26(24)39)12-37-15-35-25-27(33-14-34-28(25)37)32-11-16-5-6-17-3-1-2-4-18(17)7-16/h1-10,14-15,22-24,26,38-39H,11-13H2,(H,36,40)(H,32,33,34)/t22?,23?,24-,26+/m1/s1
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100496
PNG
(CHEMBL65568 | N-{4-Hydroxy-5-hydroxymethyl-2-[6-(2...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccccc4C)ncnc23)OC(CO)[C@@H]1O
Show InChI InChI=1S/C28H32N6O6/c1-16-6-4-5-7-17(16)11-29-26-24-27(31-14-30-26)34(15-32-24)12-21-23(25(36)22(13-35)40-21)33-28(37)18-8-19(38-2)10-20(9-18)39-3/h4-10,14-15,21-23,25,35-36H,11-13H2,1-3H3,(H,33,37)(H,29,30,31)/t21?,22?,23-,25+/m1/s1
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100485
PNG
(CHEMBL66305 | N-{4-Hydroxy-5-hydroxymethyl-2-[6-(3...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4cccc(C)c4)ncnc23)OC(CO)[C@@H]1O
Show InChI InChI=1S/C28H32N6O6/c1-16-5-4-6-17(7-16)11-29-26-24-27(31-14-30-26)34(15-32-24)12-21-23(25(36)22(13-35)40-21)33-28(37)18-8-19(38-2)10-20(9-18)39-3/h4-10,14-15,21-23,25,35-36H,11-13H2,1-3H3,(H,33,37)(H,29,30,31)/t21?,22?,23-,25+/m1/s1
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100501
PNG
(Acetic acid 2-acetoxy-5-(4-hydroxy-5-hydroxymethyl...)
Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)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)44-23-11-10-20(12-24(23)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)33-13-21-8-5-7-19-6-3-4-9-22(19)21/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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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100478
PNG
(3-Dimethylamino-N-(4-hydroxy-5-hydroxymethyl-2-{6-...)
Show SMILES CN(C)c1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C30H31N7O4/c1-36(2)21-11-6-9-19(13-21)29(40)35-24-26(39)23(15-38)41-30(24)37-17-34-25-27(32-16-33-28(25)37)31-14-20-10-5-8-18-7-3-4-12-22(18)20/h3-13,16-17,23-24,26,30,38-39H,14-15H2,1-2H3,(H,35,40)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100481
PNG
(3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3...)
Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
Show InChI InChI=1S/C28H24Cl2N6O5/c29-17-5-15(6-18(30)9-17)27(40)35-22-24(39)21(11-37)41-28(22)36-13-34-23-25(32-12-33-26(23)36)31-10-16-8-19(38)7-14-3-1-2-4-20(14)16/h1-9,12-13,21-22,24,28,37-39H,10-11H2,(H,35,40)(H,31,32,33)/t21-,22-,24-,28-/m1/s1
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100491
PNG
(3-Hydroxy-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(naph...)
Show SMILES COc1ccc(cc1O)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C29H28N6O6/c1-40-21-10-9-17(11-20(21)37)28(39)34-23-25(38)22(13-36)41-29(23)35-15-33-24-26(31-14-32-27(24)35)30-12-18-7-4-6-16-5-2-3-8-19(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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PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100505
PNG
(Acetic acid 3-(4-hydroxy-5-hydroxymethyl-2-{6-[(na...)
Show SMILES CC(=O)Oc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C30H28N6O6/c1-17(38)41-21-10-5-8-19(12-21)29(40)35-24-26(39)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-20-9-4-7-18-6-2-3-11-22(18)20/h2-12,15-16,23-24,26,30,37,39H,13-14H2,1H3,(H,35,40)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
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PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100500
PNG
(CHEMBL66196 | N-{2-[6-(Benzhydryl-amino)-purin-9-y...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NC(c4ccccc4)c4ccccc4)ncnc23)OC(CO)[C@@H]1O
Show InChI InChI=1S/C33H34N6O6/c1-43-23-13-22(14-24(15-23)44-2)33(42)38-28-25(45-26(17-40)30(28)41)16-39-19-36-29-31(34-18-35-32(29)39)37-27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,18-19,25-28,30,40-41H,16-17H2,1-2H3,(H,38,42)(H,34,35,37)/t25?,26?,28-,30+/m1/s1
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PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100484
PNG
(CHEMBL63809 | N-{4-Hydroxy-5-hydroxymethyl-2-[6-(n...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(Nc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O
Show InChI InChI=1S/C30H30N6O6/c1-40-21-10-19(11-22(12-21)41-2)30(39)35-25-23(42-24(14-37)27(25)38)13-36-16-33-26-28(31-15-32-29(26)36)34-20-8-7-17-5-3-4-6-18(17)9-20/h3-12,15-16,23-25,27,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,34)/t23?,24?,25-,27+/m1/s1
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PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100480
PNG
(CHEMBL65287 | N-[2-(6-Amino-purin-9-ylmethyl)-5-di...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(N)ncnc23)OC(CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H]1O
Show InChI InChI=1S/C34H35N7O6/c1-45-23-13-22(14-24(15-23)46-2)33(43)40-28-26(17-41-19-39-29-31(35)37-18-38-32(29)41)47-25(30(28)42)16-36-34(44)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,18-19,25-28,30,42H,16-17H2,1-2H3,(H,36,44)(H,40,43)(H2,35,37,38)/t25?,26?,28-,30+/m1/s1
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PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100502
PNG
(CHEMBL63304 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[2...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccccc4Sc4ccccc4CO)ncnc23)OC(CO)[C@@H]1O
Show InChI InChI=1S/C34H36N6O7S/c1-45-23-11-22(12-24(13-23)46-2)34(44)39-29-25(47-26(17-42)31(29)43)15-40-19-38-30-32(36-18-37-33(30)40)35-14-20-7-3-5-9-27(20)48-28-10-6-4-8-21(28)16-41/h3-13,18-19,25-26,29,31,41-43H,14-17H2,1-2H3,(H,39,44)(H,35,36,37)/t25?,26?,29-,31+/m1/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100498
PNG
(CHEMBL66195 | N-{4-Hydroxy-5-hydroxymethyl-2-[6-(1...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NC4CCCc5ccccc45)ncnc23)OC(CO)[C@@H]1O
Show InChI InChI=1S/C30H34N6O6/c1-40-19-10-18(11-20(12-19)41-2)30(39)35-25-23(42-24(14-37)27(25)38)13-36-16-33-26-28(31-15-32-29(26)36)34-22-9-5-7-17-6-3-4-8-21(17)22/h3-4,6,8,10-12,15-16,22-25,27,37-38H,5,7,9,13-14H2,1-2H3,(H,35,39)(H,31,32,34)/t22?,23?,24?,25-,27+/m1/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100477
PNG
(Acetic acid 5-(4-hydroxy-5-hydroxymethyl-2-{6-[(na...)
Show SMILES COc1ccc(cc1OC(C)=O)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C31H30N6O7/c1-17(39)43-23-12-19(10-11-22(23)42-2)30(41)36-25-27(40)24(14-38)44-31(25)37-16-35-26-28(33-15-34-29(26)37)32-13-20-8-5-7-18-6-3-4-9-21(18)20/h3-12,15-16,24-25,27,31,38,40H,13-14H2,1-2H3,(H,36,41)(H,32,33,34)/t24-,25-,27-,31-/m1/s1
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PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100497
PNG
(4-Hydroxy-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(naph...)
Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2ccc(O)cc2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C28H26N6O5/c35-13-21-24(37)22(33-27(38)17-8-10-19(36)11-9-17)28(39-21)34-15-32-23-25(30-14-31-26(23)34)29-12-18-6-3-5-16-4-1-2-7-20(16)18/h1-11,14-15,21-22,24,28,35-37H,12-13H2,(H,33,38)(H,29,30,31)/t21-,22-,24-,28-/m1/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100466
PNG
(CHEMBL411737 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C29H28N6O5/c1-39-20-11-9-18(10-12-20)28(38)34-23-25(37)22(14-36)40-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-7-4-6-17-5-2-3-8-21(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 1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100503
PNG
(4-Chloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(napht...)
Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C28H25ClN6O4/c29-19-10-8-17(9-11-19)27(38)34-22-24(37)21(13-36)39-28(22)35-15-33-23-25(31-14-32-26(23)35)30-12-18-6-3-5-16-4-1-2-7-20(16)18/h1-11,14-15,21-22,24,28,36-37H,12-13H2,(H,34,38)(H,30,31,32)/t21-,22-,24-,28-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100504
PNG
(Acetic acid 4-(4-hydroxy-5-hydroxymethyl-2-{6-[(na...)
Show SMILES CC(=O)Oc1ccc(cc1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C30H28N6O6/c1-17(38)41-21-11-9-19(10-12-21)29(40)35-24-26(39)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-20-7-4-6-18-5-2-3-8-22(18)20/h2-12,15-16,23-24,26,30,37,39H,13-14H2,1H3,(H,35,40)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50100499
PNG
(CHEMBL65928 | N-[2-(6-Amino-purin-9-ylmethyl)-5-(2...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(N)ncnc23)OC(CNC(=O)CC2CCCCC2)[C@@H]1O
Show InChI InChI=1S/C28H37N7O6/c1-39-18-9-17(10-19(11-18)40-2)28(38)34-23-21(13-35-15-33-24-26(29)31-14-32-27(24)35)41-20(25(23)37)12-30-22(36)8-16-6-4-3-5-7-16/h9-11,14-16,20-21,23,25,37H,3-8,12-13H2,1-2H3,(H,30,36)(H,34,38)(H2,29,31,32)/t20?,21?,23-,25+/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50369051
PNG
(CHEMBL609489)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H24N6O4/c25-21-18-22(28-12-27-21)30(13-29-18)24-20(32)19(31)16(34-24)11-26-23(33)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12-13,16-17,19-20,24,31-32H,11H2,(H,26,33)(H2,25,27,28)/t16-,19-,20-,24?/m1/s1
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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 against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic


(Leishmania mexicana)
BDBM50369831
PNG
(CHEMBL608890)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)CC2CCCCC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H26N6O4/c19-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)11(28-18)7-20-12(25)6-10-4-2-1-3-5-10/h8-11,14-15,18,26-27H,1-7H2,(H,20,25)(H2,19,21,22)/t11-,14-,15-,18?/m1/s1
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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 against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)

More data for this
Ligand-Target Pair