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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with Target = 'Lactate Dehydrogenase'   
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
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23251
PNG
(1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...)
Show SMILES OC(=O)c1ns[nH]c1=O
Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
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Article
PubMed
290 -37.3 140n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23232
PNG
(1,2,5-oxadiazole, OXD1 | 4-hydroxy-1,2,5-oxadiazol...)
Show SMILES OC(=O)c1no[nH]c1=O
Show InChI InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
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PubMed
210 -38.1 650n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23242
PNG
(1,2(1,5)-Isoxazole, IOA1 | 3-hydroxy-1,2-oxazole-4...)
Show SMILES OC(=O)c1co[nH]c1=O
Show InChI InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8)
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Article
PubMed
470 -36.1 1.10E+3n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23229
PNG
(Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(OC)c4)cc3o2)cc1
Show InChI InChI=1S/C29H26N2O10/c1-38-18-6-3-17(4-7-18)15-30-27(34)25-14-22(33)26-21(32)12-19(13-24(26)41-25)40-10-9-16-5-8-20(23(11-16)39-2)31-28(35)29(36)37/h3-8,11-14,32H,9-10,15H2,1-2H3,(H,30,34)(H,31,35)(H,36,37)
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PubMed
n/an/a 1.75E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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Article
PubMed
n/an/a 2.64E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23227
PNG
(Oxamic acid derivative, 5 | [(4-{2-[(5-hydroxy-2-{...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1
Show InChI InChI=1S/C28H24N2O9/c1-37-19-8-4-17(5-9-19)15-29-26(33)24-14-22(32)25-21(31)12-20(13-23(25)39-24)38-11-10-16-2-6-18(7-3-16)30-27(34)28(35)36/h2-9,12-14,31H,10-11,15H2,1H3,(H,29,33)(H,30,34)(H,35,36)
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Article
PubMed
n/an/a 3.13E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23228
PNG
(Oxamic acid derivative, 6 | [(2-cyano-4-{2-[(5-hyd...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(c4)C#N)cc3o2)cc1
Show InChI InChI=1S/C29H23N3O9/c1-39-19-5-2-17(3-6-19)15-31-27(35)25-13-23(34)26-22(33)11-20(12-24(26)41-25)40-9-8-16-4-7-21(18(10-16)14-30)32-28(36)29(37)38/h2-7,10-13,33H,8-9,15H2,1H3,(H,31,35)(H,32,36)(H,37,38)
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Article
PubMed
n/an/a 8.25E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Bos taurus (bovine))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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PubMed
n/an/a 9.54E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Bos taurus (bovine))
BDBM23229
PNG
(Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(OC)c4)cc3o2)cc1
Show InChI InChI=1S/C29H26N2O10/c1-38-18-6-3-17(4-7-18)15-30-27(34)25-14-22(33)26-21(32)12-19(13-24(26)41-25)40-10-9-16-5-8-20(23(11-16)39-2)31-28(35)29(36)37/h3-8,11-14,32H,9-10,15H2,1-2H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 1.14E+4n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23243
PNG
(1,2(1,5)-Isoxazole, IOA2 | 4-hydroxy-1,2-oxazole-3...)
Show SMILES OC(=O)c1nocc1O
Show InChI InChI=1S/C4H3NO4/c6-2-1-9-5-3(2)4(7)8/h1,6H,(H,7,8)
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PubMed
n/an/a 1.60E+4n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23250
PNG
(1,2(1,5)-Isoxazole, IOA9 | 4-hydroxy-1,2-oxazole-3...)
Show SMILES OC(=O)c1noc(C(O)=O)c1O
Show InChI InChI=1S/C5H3NO6/c7-2-1(4(8)9)6-12-3(2)5(10)11/h7H,(H,8,9)(H,10,11)
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PubMed
n/an/a 8.10E+4n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23224
PNG
(7-{[4-(formamidoformic acid)-3-methoxyphenyl]metho...)
Show SMILES COc1cc(COc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)ccc1NC(=O)C(O)=O
Show InChI InChI=1S/C20H15NO10/c1-29-14-4-9(2-3-11(14)21-18(24)20(27)28)8-30-10-5-12(22)17-13(23)7-16(19(25)26)31-15(17)6-10/h2-7,22H,8H2,1H3,(H,21,24)(H,25,26)(H,27,28)
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PubMed
n/an/a 8.73E+4n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23222
PNG
(Oxalamic acid | Oxamate | Oxamate, 3 | Oxamidic Ac...)
Show SMILES NC(=O)C(O)=O
Show InChI InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
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PubMed
n/an/a 9.25E+4n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23258
PNG
(1H-1,2,3-triazole-5-carboxylic acid | Triazole, TR...)
Show SMILES OC(=O)c1cnn[nH]1
Show InChI InChI=1S/C3H3N3O2/c7-3(8)2-1-4-6-5-2/h1H,(H,7,8)(H,4,5,6)
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PubMed
n/an/a 9.80E+4n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23252
PNG
(1,2,5-Thiadiazole, TDA2 | 4-amino-1,2,5-thiadiazol...)
Show SMILES Nc1nsnc1C(O)=O
Show InChI InChI=1S/C3H3N3O2S/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23245
PNG
(1,2(1,5)-Isoxazole, IOA4 | 2-methyl-3-oxo-2,3-dihy...)
Show SMILES Cn1occ(C(O)=O)c1=O
Show InChI InChI=1S/C5H5NO4/c1-6-4(7)3(2-10-6)5(8)9/h2H,1H3,(H,8,9)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23244
PNG
(1,2(1,5)-Isoxazole, IOA3 | 3-hydroxy-5-methyl-1,2-...)
Show SMILES Cc1o[nH]c(=O)c1C(O)=O
Show InChI InChI=1S/C5H5NO4/c1-2-3(5(8)9)4(7)6-10-2/h1H3,(H,6,7)(H,8,9)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23246
PNG
(1,2(1,5)-Isoxazole, IOA5 | 3-methoxy-1,2-oxazole-4...)
Show SMILES COc1nocc1C(O)=O
Show InChI InChI=1S/C5H5NO4/c1-9-4-3(5(7)8)2-10-6-4/h2H,1H3,(H,7,8)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23253
PNG
(1,2,5-Thiadiazole, TDA3 | 4-methoxy-1,2,5-thiadiaz...)
Show SMILES COc1nsnc1C(O)=O
Show InChI InChI=1S/C4H4N2O3S/c1-9-3-2(4(7)8)5-10-6-3/h1H3,(H,7,8)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23254
PNG
(4-hydroxy-1-methyl-1H-1,2,3-triazole-5-carboxylic ...)
Show SMILES Cn1nnc(O)c1C(O)=O
Show InChI InChI=1S/C4H5N3O3/c1-7-2(4(9)10)3(8)5-6-7/h8H,1H3,(H,9,10)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23255
PNG
(5-hydroxy-2-methyl-2H-1,2,3-triazole-4-carboxylic ...)
Show SMILES Cn1nc(C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C4H5N3O3/c1-7-5-2(4(9)10)3(8)6-7/h1H3,(H,6,8)(H,9,10)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23256
PNG
(1-benzyl-4-hydroxy-1H-1,2,3-triazole-5-carboxylic ...)
Show SMILES OC(=O)c1c(O)nnn1Cc1ccccc1
Show InChI InChI=1S/C10H9N3O3/c14-9-8(10(15)16)13(12-11-9)6-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23257
PNG
(2-benzyl-5-hydroxy-2H-1,2,3-triazole-4-carboxylic ...)
Show SMILES OC(=O)c1nn(Cc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C10H9N3O3/c14-9-8(10(15)16)11-13(12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14)(H,15,16)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23248
PNG
(1,2(1,5)-Isoxazole, IOA7 | methyl 5-hydroxy-3-meth...)
Show SMILES COC(=O)c1c(C)[nH]oc1=O
Show InChI InChI=1S/C6H7NO4/c1-3-4(5(8)10-2)6(9)11-7-3/h7H,1-2H3
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23247
PNG
(1,2(1,5)-Isoxazole, IOA6 | ethyl 3-hydroxy-1,2-oxa...)
Show SMILES CCOC(=O)c1co[nH]c1=O
Show InChI InChI=1S/C6H7NO4/c1-2-10-6(9)4-3-11-7-5(4)8/h3H,2H2,1H3,(H,7,8)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23249
PNG
(1,2(1,5)-Isoxazole, IOA8 | ethyl 5-hydroxy-1,2-oxa...)
Show SMILES CCOC(=O)c1c[nH]oc1=O
Show InChI InChI=1S/C6H7NO4/c1-2-10-5(8)4-3-7-11-6(4)9/h3,7H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Bos taurus (bovine))
BDBM23222
PNG
(Oxalamic acid | Oxamate | Oxamate, 3 | Oxamidic Ac...)
Show SMILES NC(=O)C(O)=O
Show InChI InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
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n/an/a 1.23E+5n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate Dehydrogenase


(Bos taurus (bovine))
BDBM23228
PNG
(Oxamic acid derivative, 6 | [(2-cyano-4-{2-[(5-hyd...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(c4)C#N)cc3o2)cc1
Show InChI InChI=1S/C29H23N3O9/c1-39-19-5-2-17(3-6-19)15-31-27(35)25-13-23(34)26-22(33)11-20(12-24(26)41-25)40-9-8-16-4-7-21(18(10-16)14-30)32-28(36)29(37)38/h2-7,10-13,33H,8-9,15H2,1H3,(H,31,35)(H,32,36)(H,37,38)
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n/an/a>1.79E+5n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Bos taurus (bovine))
BDBM23227
PNG
(Oxamic acid derivative, 5 | [(4-{2-[(5-hydroxy-2-{...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1
Show InChI InChI=1S/C28H24N2O9/c1-37-19-8-4-17(5-9-19)15-29-26(33)24-14-22(32)25-21(31)12-20(13-23(25)39-24)38-11-10-16-2-6-18(7-3-16)30-27(34)28(35)36/h2-9,12-14,31H,10-11,15H2,1H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a>1.87E+5n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23226
PNG
(7-{2-[4-(formamidoformic acid)-3-methoxyphenyl]eth...)
Show SMILES COc1cc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)ccc1NC(=O)C(O)=O
Show InChI InChI=1S/C21H17NO10/c1-30-15-6-10(2-3-12(15)22-19(25)21(28)29)4-5-31-11-7-13(23)18-14(24)9-17(20(26)27)32-16(18)8-11/h2-3,6-9,23H,4-5H2,1H3,(H,22,25)(H,26,27)(H,28,29)
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n/an/a 1.91E+5n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23239
PNG
(1,2,5-oxadiazole, OXD7 | ethyl 4-hydroxy-1,2,5-oxa...)
Show SMILES CCOC(=O)c1no[nH]c1=O
Show InChI InChI=1S/C5H6N2O4/c1-2-10-5(9)3-4(8)7-11-6-3/h2H2,1H3,(H,7,8)
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n/an/a>2.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23240
PNG
(1,2,5-oxadiazole, OXD8 | 4-{[(2E)-3-phenylprop-2-e...)
Show SMILES OC(=O)c1nonc1OC\C=C\c1ccccc1
Show InChI InChI=1S/C12H10N2O4/c15-12(16)10-11(14-18-13-10)17-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,15,16)/b7-4+
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n/an/a>2.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23241
PNG
(1,2,5-oxadiazole, OXD9 | ethyl 4-[(4-methoxyphenyl...)
Show SMILES CCOC(=O)c1nonc1OCc1ccc(OC)cc1
Show InChI InChI=1S/C13H14N2O5/c1-3-18-13(16)11-12(15-20-14-11)19-8-9-4-6-10(17-2)7-5-9/h4-7H,3,8H2,1-2H3
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n/an/a>2.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23237
PNG
(1,2,5-oxadiazole, OXD5 | 2-(4-hydroxy-1,2,5-oxadia...)
Show SMILES OC(=O)Cc1no[nH]c1=O
Show InChI InChI=1S/C4H4N2O4/c7-3(8)1-2-4(9)6-10-5-2/h1H2,(H,6,9)(H,7,8)
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n/an/a>2.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23236
PNG
(1,2,5-oxadiazole, OXD4 | 1,2,5-oxadiazole-3-carbox...)
Show SMILES OC(=O)c1cnon1
Show InChI InChI=1S/C3H2N2O3/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7)
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n/an/a>2.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23235
PNG
(1,2,5-oxadiazole, OXD3 | 4-[(2-hydroxyethyl)amino]...)
Show SMILES OCCNc1nonc1C(O)=O
Show InChI InChI=1S/C5H7N3O4/c9-2-1-6-4-3(5(10)11)7-12-8-4/h9H,1-2H2,(H,6,8)(H,10,11)
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n/an/a>2.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23234
PNG
(1,2,5-oxadiazole, OXD2 | 4-amino-1,2,5-oxadiazole-...)
Show SMILES Nc1nonc1C(O)=O
Show InChI InChI=1S/C3H3N3O3/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
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n/an/a>2.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23238
PNG
((3,4-dichlorophenyl)methyl 4-hydroxy-1,2,5-oxadiaz...)
Show SMILES Clc1ccc(COC(=O)c2no[nH]c2=O)cc1Cl
Show InChI InChI=1S/C10H6Cl2N2O4/c11-6-2-1-5(3-7(6)12)4-17-10(16)8-9(15)14-18-13-8/h1-3H,4H2,(H,14,15)
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n/an/a>2.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Bos taurus (bovine))
BDBM23226
PNG
(7-{2-[4-(formamidoformic acid)-3-methoxyphenyl]eth...)
Show SMILES COc1cc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)ccc1NC(=O)C(O)=O
Show InChI InChI=1S/C21H17NO10/c1-30-15-6-10(2-3-12(15)22-19(25)21(28)29)4-5-31-11-7-13(23)18-14(24)9-17(20(26)27)32-16(18)8-11/h2-3,6-9,23H,4-5H2,1H3,(H,22,25)(H,26,27)(H,28,29)
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n/an/a>2.25E+5n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Bos taurus (bovine))
BDBM23224
PNG
(7-{[4-(formamidoformic acid)-3-methoxyphenyl]metho...)
Show SMILES COc1cc(COc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)ccc1NC(=O)C(O)=O
Show InChI InChI=1S/C20H15NO10/c1-29-14-4-9(2-3-11(14)21-18(24)20(27)28)8-30-10-5-12(22)17-13(23)7-16(19(25)26)31-15(17)6-10/h2-7,22H,8H2,1H3,(H,21,24)(H,25,26)(H,27,28)
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n/an/a>2.32E+5n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Bos taurus (bovine))
BDBM23225
PNG
(7-{2-[4-(formamidoformic acid)phenyl]ethoxy}-5-hyd...)
Show SMILES OC(=O)C(=O)Nc1ccc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)cc1
Show InChI InChI=1S/C20H15NO9/c22-13-7-12(8-15-17(13)14(23)9-16(30-15)19(25)26)29-6-5-10-1-3-11(4-2-10)21-18(24)20(27)28/h1-4,7-9,22H,5-6H2,(H,21,24)(H,25,26)(H,27,28)
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n/an/a>2.41E+5n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23225
PNG
(7-{2-[4-(formamidoformic acid)phenyl]ethoxy}-5-hyd...)
Show SMILES OC(=O)C(=O)Nc1ccc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)cc1
Show InChI InChI=1S/C20H15NO9/c22-13-7-12(8-15-17(13)14(23)9-16(30-15)19(25)26)29-6-5-10-1-3-11(4-2-10)21-18(24)20(27)28/h1-4,7-9,22H,5-6H2,(H,21,24)(H,25,26)(H,27,28)
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n/an/a>2.41E+5n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair