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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 89.0
BDBM23222
Purchase
Wt: 260.2
BDBM50031638
Wt: 246.2
BDBM50066980
Wt: 274.3
BDBM50066981
Wt: 350.4
BDBM50066974
Purchase
Wt: 350.4
BDBM50066975
Wt: 322.3
BDBM50066976
Wt: 260.2
BDBM50066977
Wt: 232.2
BDBM50066978
Wt: 274.3
BDBM50066979
Purchase
Wt: 350.4
BDBM50144743
Wt: 111.0
BDBM50144744
Wt: 276.1
BDBM50144747
Wt: 350.4
BDBM50144776
Wt: 350.4
BDBM50144793
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

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

Found 78 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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50144776
PNG
(CHEMBL3763437)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1ccc(C)cc1
Show InChI InChI=1S/C22H22O4/c1-11(2)18-16-9-13(4)15(14-7-5-12(3)6-8-14)10-17(16)19(22(25)26)21(24)20(18)23/h5-11,23-24H,1-4H3,(H,25,26)
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30n/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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50066974
PNG
(7-Benzyl-2,3-dihydroxy-6-methyl-4-propyl-naphthale...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
Show InChI InChI=1S/C22H22O4/c1-3-7-16-17-10-13(2)15(11-14-8-5-4-6-9-14)12-18(17)19(22(25)26)21(24)20(16)23/h4-6,8-10,12,23-24H,3,7,11H2,1-2H3,(H,25,26)
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50n/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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066974
PNG
(7-Benzyl-2,3-dihydroxy-6-methyl-4-propyl-naphthale...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
Show InChI InChI=1S/C22H22O4/c1-3-7-16-17-10-13(2)15(11-14-8-5-4-6-9-14)12-18(17)19(22(25)26)21(24)20(16)23/h4-6,8-10,12,23-24H,3,7,11H2,1-2H3,(H,25,26)
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50n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-M)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066979
PNG
(2,3-Dihydroxy-6,7-dimethyl-4-propyl-naphthalene-1-...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
Show InChI InChI=1S/C16H18O4/c1-4-5-10-11-6-8(2)9(3)7-12(11)13(16(19)20)15(18)14(10)17/h6-7,17-18H,4-5H2,1-3H3,(H,19,20)
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100n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-M)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50066979
PNG
(2,3-Dihydroxy-6,7-dimethyl-4-propyl-naphthalene-1-...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
Show InChI InChI=1S/C16H18O4/c1-4-5-10-11-6-8(2)9(3)7-12(11)13(16(19)20)15(18)14(10)17/h6-7,17-18H,4-5H2,1-3H3,(H,19,20)
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100n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against P. falciparum lactate dehydrogenase (pLDH)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50066979
PNG
(2,3-Dihydroxy-6,7-dimethyl-4-propyl-naphthalene-1-...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
Show InChI InChI=1S/C16H18O4/c1-4-5-10-11-6-8(2)9(3)7-12(11)13(16(19)20)15(18)14(10)17/h6-7,17-18H,4-5H2,1-3H3,(H,19,20)
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100n/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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50066975
PNG
(7-Benzyl-2,3-dihydroxy-4-isopropyl-6-methyl-naphth...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
Show InChI InChI=1S/C22H22O4/c1-12(2)18-16-9-13(3)15(10-14-7-5-4-6-8-14)11-17(16)19(22(25)26)21(24)20(18)23/h4-9,11-12,23-24H,10H2,1-3H3,(H,25,26)
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200n/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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50144793
PNG
(CHEMBL3765804)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1cccc(C)c1
Show InChI InChI=1S/C22H22O4/c1-11(2)18-16-9-13(4)15(14-7-5-6-12(3)8-14)10-17(16)19(22(25)26)21(24)20(18)23/h5-11,23-24H,1-4H3,(H,25,26)
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200n/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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066975
PNG
(7-Benzyl-2,3-dihydroxy-4-isopropyl-6-methyl-naphth...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
Show InChI InChI=1S/C22H22O4/c1-12(2)18-16-9-13(3)15(10-14-7-5-4-6-8-14)11-17(16)19(22(25)26)21(24)20(18)23/h4-9,11-12,23-24H,10H2,1-3H3,(H,25,26)
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200n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-M)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50066974
PNG
(7-Benzyl-2,3-dihydroxy-6-methyl-4-propyl-naphthale...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
Show InChI InChI=1S/C22H22O4/c1-3-7-16-17-10-13(2)15(11-14-8-5-4-6-9-14)12-18(17)19(22(25)26)21(24)20(16)23/h4-6,8-10,12,23-24H,3,7,11H2,1-2H3,(H,25,26)
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300n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against P. falciparum lactate dehydrogenase (pLDH)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066976
PNG
(7-Benzyl-2,3-dihydroxy-4,6-dimethyl-naphthalene-1-...)
Show SMILES Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1Cc1ccccc1
Show InChI InChI=1S/C20H18O4/c1-11-8-15-12(2)18(21)19(22)17(20(23)24)16(15)10-14(11)9-13-6-4-3-5-7-13/h3-8,10,21-22H,9H2,1-2H3,(H,23,24)
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500n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-M)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50066976
PNG
(7-Benzyl-2,3-dihydroxy-4,6-dimethyl-naphthalene-1-...)
Show SMILES Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1Cc1ccccc1
Show InChI InChI=1S/C20H18O4/c1-11-8-15-12(2)18(21)19(22)17(20(23)24)16(15)10-14(11)9-13-6-4-3-5-7-13/h3-8,10,21-22H,9H2,1-2H3,(H,23,24)
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500n/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
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50066975
PNG
(7-Benzyl-2,3-dihydroxy-4-isopropyl-6-methyl-naphth...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
Show InChI InChI=1S/C22H22O4/c1-12(2)18-16-9-13(3)15(10-14-7-5-4-6-8-14)11-17(16)19(22(25)26)21(24)20(18)23/h4-9,11-12,23-24H,10H2,1-3H3,(H,25,26)
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700n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against P. falciparum lactate dehydrogenase (pLDH)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50066977
PNG
(2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O4/c1-3-4-10-11-7-8(2)5-6-9(11)12(15(18)19)14(17)13(10)16/h5-7,16-17H,3-4H2,1-2H3,(H,18,19)
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1.00E+3n/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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066974
PNG
(7-Benzyl-2,3-dihydroxy-6-methyl-4-propyl-naphthale...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
Show InChI InChI=1S/C22H22O4/c1-3-7-16-17-10-13(2)15(11-14-8-5-4-6-9-14)12-18(17)19(22(25)26)21(24)20(16)23/h4-6,8-10,12,23-24H,3,7,11H2,1-2H3,(H,25,26)
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1.00E+3n/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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066974
PNG
(7-Benzyl-2,3-dihydroxy-6-methyl-4-propyl-naphthale...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
Show InChI InChI=1S/C22H22O4/c1-3-7-16-17-10-13(2)15(11-14-8-5-4-6-9-14)12-18(17)19(22(25)26)21(24)20(16)23/h4-6,8-10,12,23-24H,3,7,11H2,1-2H3,(H,25,26)
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1.00E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-H)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50066981
PNG
(2,3-Dihydroxy-4-isopropyl-6,7-dimethyl-naphthalene...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
Show InChI InChI=1S/C16H18O4/c1-7(2)12-10-5-8(3)9(4)6-11(10)13(16(19)20)15(18)14(12)17/h5-7,17-18H,1-4H3,(H,19,20)
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1.00E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against P. falciparum lactate dehydrogenase (pLDH)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066977
PNG
(2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O4/c1-3-4-10-11-7-8(2)5-6-9(11)12(15(18)19)14(17)13(10)16/h5-7,16-17H,3-4H2,1-2H3,(H,18,19)
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1.00E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-M)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50031638
PNG
(2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O4/c1-7(2)11-10-6-8(3)4-5-9(10)12(15(18)19)14(17)13(11)16/h4-7,16-17H,1-3H3,(H,18,19)
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2.00E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against P. falciparum lactate dehydrogenase (pLDH)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066981
PNG
(2,3-Dihydroxy-4-isopropyl-6,7-dimethyl-naphthalene...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
Show InChI InChI=1S/C16H18O4/c1-7(2)12-10-5-8(3)9(4)6-11(10)13(16(19)20)15(18)14(12)17/h5-7,17-18H,1-4H3,(H,19,20)
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2.00E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-M)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50066981
PNG
(2,3-Dihydroxy-4-isopropyl-6,7-dimethyl-naphthalene...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
Show InChI InChI=1S/C16H18O4/c1-7(2)12-10-5-8(3)9(4)6-11(10)13(16(19)20)15(18)14(12)17/h5-7,17-18H,1-4H3,(H,19,20)
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2.00E+3n/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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50031638
PNG
(2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O4/c1-7(2)11-10-6-8(3)4-5-9(10)12(15(18)19)14(17)13(11)16/h4-7,16-17H,1-3H3,(H,18,19)
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3.00E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-M)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50031638
PNG
(2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O4/c1-7(2)11-10-6-8(3)4-5-9(10)12(15(18)19)14(17)13(11)16/h4-7,16-17H,1-3H3,(H,18,19)
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3.00E+3n/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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50144743
PNG
(CHEMBL3764196)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1ccccc1C
Show InChI InChI=1S/C22H22O4/c1-11(2)18-16-9-13(4)15(14-8-6-5-7-12(14)3)10-17(16)19(22(25)26)21(24)20(18)23/h5-11,23-24H,1-4H3,(H,25,26)
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3.00E+3n/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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50066980
PNG
(2,3-Dihydroxy-4,6,7-trimethyl-naphthalene-1-carbox...)
Show SMILES Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1C
Show InChI InChI=1S/C14H14O4/c1-6-4-9-8(3)12(15)13(16)11(14(17)18)10(9)5-7(6)2/h4-5,15-16H,1-3H3,(H,17,18)
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4.00E+3n/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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066980
PNG
(2,3-Dihydroxy-4,6,7-trimethyl-naphthalene-1-carbox...)
Show SMILES Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1C
Show InChI InChI=1S/C14H14O4/c1-6-4-9-8(3)12(15)13(16)11(14(17)18)10(9)5-7(6)2/h4-5,15-16H,1-3H3,(H,17,18)
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4.00E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-M)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50144747
PNG
(CHEMBL3763517)
Show SMILES Oc1cc2C(=O)Cc3cc(O)c(=O)oc3-c2c(O)c1O
Show InChI InChI=1S/C13H8O7/c14-6-1-4-2-8(16)13(19)20-12(4)9-5(6)3-7(15)10(17)11(9)18/h2-3,15-18H,1H2
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5.46E+3n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH5 meaured for 3 mins in presence of pyruvate by fluorescence analysis


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
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50066977
PNG
(2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O4/c1-3-4-10-11-7-8(2)5-6-9(11)12(15(18)19)14(17)13(10)16/h5-7,16-17H,3-4H2,1-2H3,(H,18,19)
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6.00E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against P. falciparum lactate dehydrogenase (pLDH)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066975
PNG
(7-Benzyl-2,3-dihydroxy-4-isopropyl-6-methyl-naphth...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
Show InChI InChI=1S/C22H22O4/c1-12(2)18-16-9-13(3)15(10-14-7-5-4-6-8-14)11-17(16)19(22(25)26)21(24)20(18)23/h4-9,11-12,23-24H,10H2,1-3H3,(H,25,26)
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7.00E+3n/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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066975
PNG
(7-Benzyl-2,3-dihydroxy-4-isopropyl-6-methyl-naphth...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
Show InChI InChI=1S/C22H22O4/c1-12(2)18-16-9-13(3)15(10-14-7-5-4-6-8-14)11-17(16)19(22(25)26)21(24)20(18)23/h4-9,11-12,23-24H,10H2,1-3H3,(H,25,26)
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7.00E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-H)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50066974
PNG
(7-Benzyl-2,3-dihydroxy-6-methyl-4-propyl-naphthale...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
Show InChI InChI=1S/C22H22O4/c1-3-7-16-17-10-13(2)15(11-14-8-5-4-6-9-14)12-18(17)19(22(25)26)21(24)20(16)23/h4-6,8-10,12,23-24H,3,7,11H2,1-2H3,(H,25,26)
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8.00E+3n/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
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50066976
PNG
(7-Benzyl-2,3-dihydroxy-4,6-dimethyl-naphthalene-1-...)
Show SMILES Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1Cc1ccccc1
Show InChI InChI=1S/C20H18O4/c1-11-8-15-12(2)18(21)19(22)17(20(23)24)16(15)10-14(11)9-13-6-4-3-5-7-13/h3-8,10,21-22H,9H2,1-2H3,(H,23,24)
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8.00E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against P. falciparum lactate dehydrogenase (pLDH)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50144776
PNG
(CHEMBL3763437)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1ccc(C)cc1
Show InChI InChI=1S/C22H22O4/c1-11(2)18-16-9-13(4)15(14-7-5-12(3)6-8-14)10-17(16)19(22(25)26)21(24)20(18)23/h5-11,23-24H,1-4H3,(H,25,26)
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8.00E+3n/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
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50066980
PNG
(2,3-Dihydroxy-4,6,7-trimethyl-naphthalene-1-carbox...)
Show SMILES Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1C
Show InChI InChI=1S/C14H14O4/c1-6-4-9-8(3)12(15)13(16)11(14(17)18)10(9)5-7(6)2/h4-5,15-16H,1-3H3,(H,17,18)
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1.30E+4n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against P. falciparum lactate dehydrogenase (pLDH)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50144747
PNG
(CHEMBL3763517)
Show SMILES Oc1cc2C(=O)Cc3cc(O)c(=O)oc3-c2c(O)c1O
Show InChI InChI=1S/C13H8O7/c14-6-1-4-2-8(16)13(19)20-12(4)9-5(6)3-7(15)10(17)11(9)18/h2-3,15-18H,1H2
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1.51E+4n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH1 meaured for 3 mins in presence of pyruvate by fluorescence analysis


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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066979
PNG
(2,3-Dihydroxy-6,7-dimethyl-4-propyl-naphthalene-1-...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
Show InChI InChI=1S/C16H18O4/c1-4-5-10-11-6-8(2)9(3)7-12(11)13(16(19)20)15(18)14(10)17/h6-7,17-18H,4-5H2,1-3H3,(H,19,20)
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1.90E+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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066979
PNG
(2,3-Dihydroxy-6,7-dimethyl-4-propyl-naphthalene-1-...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
Show InChI InChI=1S/C16H18O4/c1-4-5-10-11-6-8(2)9(3)7-12(11)13(16(19)20)15(18)14(10)17/h6-7,17-18H,4-5H2,1-3H3,(H,19,20)
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1.90E+4n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-H)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50066978
PNG
(2,3-Dihydroxy-4,6-dimethyl-naphthalene-1-carboxyli...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(O)c(C)c2c1
Show InChI InChI=1S/C13H12O4/c1-6-3-4-8-9(5-6)7(2)11(14)12(15)10(8)13(16)17/h3-5,14-15H,1-2H3,(H,16,17)
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2.20E+4n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against P. falciparum lactate dehydrogenase (pLDH)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50144747
PNG
(CHEMBL3763517)
Show SMILES Oc1cc2C(=O)Cc3cc(O)c(=O)oc3-c2c(O)c1O
Show InChI InChI=1S/C13H8O7/c14-6-1-4-2-8(16)13(19)20-12(4)9-5(6)3-7(15)10(17)11(9)18/h2-3,15-18H,1H2
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2.32E+4n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH1 meaured for 3 mins in presence of NADH by fluorescence analysis


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
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))
BDBM50066978
PNG
(2,3-Dihydroxy-4,6-dimethyl-naphthalene-1-carboxyli...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(O)c(C)c2c1
Show InChI InChI=1S/C13H12O4/c1-6-3-4-8-9(5-6)7(2)11(14)12(15)10(8)13(16)17/h3-5,14-15H,1-2H3,(H,16,17)
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3.40E+4n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-M)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50144793
PNG
(CHEMBL3765804)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1cccc(C)c1
Show InChI InChI=1S/C22H22O4/c1-11(2)18-16-9-13(4)15(14-7-5-6-12(3)8-14)10-17(16)19(22(25)26)21(24)20(18)23/h5-11,23-24H,1-4H3,(H,25,26)
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3.40E+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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50066978
PNG
(2,3-Dihydroxy-4,6-dimethyl-naphthalene-1-carboxyli...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(O)c(C)c2c1
Show InChI InChI=1S/C13H12O4/c1-6-3-4-8-9(5-6)7(2)11(14)12(15)10(8)13(16)17/h3-5,14-15H,1-2H3,(H,16,17)
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3.40E+4n/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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066976
PNG
(7-Benzyl-2,3-dihydroxy-4,6-dimethyl-naphthalene-1-...)
Show SMILES Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1Cc1ccccc1
Show InChI InChI=1S/C20H18O4/c1-11-8-15-12(2)18(21)19(22)17(20(23)24)16(15)10-14(11)9-13-6-4-3-5-7-13/h3-8,10,21-22H,9H2,1-2H3,(H,23,24)
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3.90E+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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066976
PNG
(7-Benzyl-2,3-dihydroxy-4,6-dimethyl-naphthalene-1-...)
Show SMILES Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1Cc1ccccc1
Show InChI InChI=1S/C20H18O4/c1-11-8-15-12(2)18(21)19(22)17(20(23)24)16(15)10-14(11)9-13-6-4-3-5-7-13/h3-8,10,21-22H,9H2,1-2H3,(H,23,24)
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3.90E+4n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-H)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066977
PNG
(2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O4/c1-3-4-10-11-7-8(2)5-6-9(11)12(15(18)19)14(17)13(10)16/h5-7,16-17H,3-4H2,1-2H3,(H,18,19)
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4.90E+4n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-H)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066977
PNG
(2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...)
Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O4/c1-3-4-10-11-7-8(2)5-6-9(11)12(15(18)19)14(17)13(10)16/h5-7,16-17H,3-4H2,1-2H3,(H,18,19)
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4.90E+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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50144747
PNG
(CHEMBL3763517)
Show SMILES Oc1cc2C(=O)Cc3cc(O)c(=O)oc3-c2c(O)c1O
Show InChI InChI=1S/C13H8O7/c14-6-1-4-2-8(16)13(19)20-12(4)9-5(6)3-7(15)10(17)11(9)18/h2-3,15-18H,1H2
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5.60E+4n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH5 meaured for 3 mins in presence of NADH by fluorescence analysis


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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066981
PNG
(2,3-Dihydroxy-4-isopropyl-6,7-dimethyl-naphthalene...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
Show InChI InChI=1S/C16H18O4/c1-7(2)12-10-5-8(3)9(4)6-11(10)13(16(19)20)15(18)14(12)17/h5-7,17-18H,1-4H3,(H,19,20)
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7.80E+4n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
inhibitory activity against Human Lactate Dehydrogenase (LDH-H)


J Med Chem 41: 3879-87 (1998)


Article DOI: 10.1021/jm980334n
BindingDB Entry DOI: 10.7270/Q298864G
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066981
PNG
(2,3-Dihydroxy-4-isopropyl-6,7-dimethyl-naphthalene...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
Show InChI InChI=1S/C16H18O4/c1-7(2)12-10-5-8(3)9(4)6-11(10)13(16(19)20)15(18)14(12)17/h5-7,17-18H,1-4H3,(H,19,20)
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7.80E+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
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