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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 89.0
BDBM23222
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Wt: 130.0
BDBM23232
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Wt: 129.0
BDBM23234
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Wt: 114.0
BDBM23236
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Wt: 144.0
BDBM23237
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Wt: 129.0
BDBM23242
Wt: 129.0
BDBM23243
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Wt: 143.0
BDBM23244
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Wt: 143.0
BDBM23245
Wt: 143.0
BDBM23246
Wt: 146.1
BDBM23251
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Wt: 145.1
BDBM23252
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Wt: 143.1
BDBM23254
Wt: 143.1
BDBM23255
Wt: 113.0
BDBM23258
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Displayed 1 to 15 (of 34 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 50 hits in this display   
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
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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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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
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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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
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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2.60E+4n/an/an/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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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9.44E+4n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH1 in presence of NADH


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
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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1.36E+5n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH5 in presence of NADH


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
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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1.38E+5n/an/an/an/an/an/an/an/a



Universita` di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A using pyruvate as substrate and NADH as cofactor at 125 uM after 5 mins by calorimetric assay relative to control


J Med Chem 54: 1599-612 (2011)


Article DOI: 10.1021/jm101007q
BindingDB Entry DOI: 10.7270/Q2J38SVC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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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n/an/a 7.80E+3n/an/an/an/a7.521



AstraZeneca



Assay Description
Enzyme assay using lactate dehydrogenase A (LDHA).


J Med Chem 55: 3285-306 (2012)


Article DOI: 10.1021/jm201734r
BindingDB Entry DOI: 10.7270/Q21J9896
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Universita` di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A using pyruvate as substrate and NADH as cofactor at 125 uM after 5 mins by calorimetric assay relative to control


J Med Chem 54: 1599-612 (2011)


Article DOI: 10.1021/jm101007q
BindingDB Entry DOI: 10.7270/Q2J38SVC
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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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n/an/a 1.03E+4n/an/an/an/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
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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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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate:NAD+ oxidoreductase C (LDH-C4)


(Mus musculus (Mouse))
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 3.00E+4n/an/an/an/a7.4n/a



Instituto Politécnico Nacional



Assay Description
Lactate dehydrogenase activity was determined by recording the absorbance change at 340 nm produced by the oxidation of NADH. Assays were performed a...


J Enzyme Inhib Med Chem 26: 579-86 (2011)


Article DOI: 10.3109/14756366.2011.566221
BindingDB Entry DOI: 10.7270/Q2R78D36
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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 3.38E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHB by UV endpoint assay


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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 3.38E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
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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n/an/a 5.40E+4n/an/an/an/an/an/a



Universita` di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A using pyruvate as substrate and NADH as cofactor at 125 uM after 5 mins by calorimetric assay relative to control


J Med Chem 54: 1599-612 (2011)


Article DOI: 10.1021/jm101007q
BindingDB Entry DOI: 10.7270/Q2J38SVC
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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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n/an/a 5.40E+4n/an/an/an/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
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 5.72E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
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 5.72E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate:NAD+ oxidoreductase B (LDH-B4)


(Mus musculus (Mouse))
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 6.00E+4n/an/an/an/a7.4n/a



Instituto Politécnico Nacional



Assay Description
Lactate dehydrogenase activity was determined by recording the absorbance change at 340 nm produced by the oxidation of NADH. Assays were performed a...


J Enzyme Inhib Med Chem 26: 579-86 (2011)


Article DOI: 10.3109/14756366.2011.566221
BindingDB Entry DOI: 10.7270/Q2R78D36
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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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n/an/a 7.21E+4n/an/an/an/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate:NAD+ oxidoreductase A (LDH-A4)


(Mus musculus (Mouse))
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 8.00E+4n/an/an/an/a7.4n/a



Instituto Politécnico Nacional



Assay Description
Lactate dehydrogenase activity was determined by recording the absorbance change at 340 nm produced by the oxidation of NADH. Assays were performed a...


J Enzyme Inhib Med Chem 26: 579-86 (2011)


Article DOI: 10.3109/14756366.2011.566221
BindingDB Entry DOI: 10.7270/Q2R78D36
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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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)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase (LDH)


(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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n/an/a 9.44E+4n/an/an/an/an/an/a



University of Mississippi



Assay Description
Enzyme assay using recombinant pfLDH and mLDH (bovine heart).


J Comb Chem 9: 292-300


Article DOI: 10.1021/cc060110n
BindingDB Entry DOI: 10.7270/Q23J3BKZ
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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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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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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n/an/a>1.00E+5n/an/an/an/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
Lactate dehydrogenase (LDH)


(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 1.16E+5n/an/an/an/an/an/a



University of Mississippi



Assay Description
Enzyme assay using recombinant pfLDH and mLDH (bovine heart).


J Comb Chem 9: 292-300


Article DOI: 10.1021/cc060110n
BindingDB Entry DOI: 10.7270/Q23J3BKZ
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
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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n/an/a>2.00E+5n/an/an/an/an/an/a



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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
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)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
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
n/an/a 4.50E+5n/an/an/an/a7.521



AstraZeneca



Assay Description
Enzyme assay using lactate dehydrogenase A (LDHA).


J Med Chem 55: 3285-306 (2012)


Article DOI: 10.1021/jm201734r
BindingDB Entry DOI: 10.7270/Q21J9896
More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
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>2.00E+6n/an/an/an/an/an/a



University of Mississippi



Assay Description
MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa...


J Med Chem 50: 3841-50 (2007)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
More data for this
Ligand-Target Pair
Malate Dehydrogenase (pfMDH)


(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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n/an/a>2.00E+6n/an/an/an/an/an/a



University of Mississippi



Assay Description
MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa...


J Med Chem 50: 3841-50 (2007)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
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>2.00E+6n/an/an/an/an/an/a



University of Mississippi



Assay Description
MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa...


J Med Chem 50: 3841-50 (2007)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
More data for this
Ligand-Target Pair