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Compile Data Set for Download or QSAR

Found 42 hits of ki for UniProtKB: P07195   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 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 B (LDHB)


(Homo sapiens (human))
BDBM50010449
PNG
(3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-7,7'-dimet...)
Show SMILES CC(C)c1c(O)c(O)c2C(=O)Oc3c(c(C)cc1c23)-c1c2OC(=O)c3c(O)c(O)c(C(C)C)c(cc1C)c23
Show InChI InChI=1S/C30H26O8/c1-9(2)15-13-7-11(5)17(27-19(13)21(29(35)37-27)25(33)23(15)31)18-12(6)8-14-16(10(3)4)24(32)26(34)22-20(14)28(18)38-30(22)36/h7-10,31-34H,1-6H3
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400n/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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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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50139139
PNG
(CHEMBL3765374)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(ccc12)-c1cc2c(C(O)=O)c(O)c(O)c(C(C)C)c2cc1C
Show InChI InChI=1S/C29H28O8/c1-11(2)20-15-7-6-14(9-18(15)22(28(34)35)26(32)24(20)30)16-10-19-17(8-13(16)5)21(12(3)4)25(31)27(33)23(19)29(36)37/h6-12,30-33H,1-5H3,(H,34,35)(H,36,37)
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700n/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



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 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 B (LDHB)


(Homo sapiens (human))
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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1.40E+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))
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
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
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
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 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 B (LDHB)


(Homo sapiens (human))
BDBM50144770
PNG
(CHEMBL3765137)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccc(Cl)cc3)c(C)cc12
Show InChI InChI=1S/C22H21ClO4/c1-11(2)18-16-8-12(3)14(9-13-4-6-15(23)7-5-13)10-17(16)19(22(26)27)21(25)20(18)24/h4-8,10-11,24-25H,9H2,1-3H3,(H,26,27)
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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 B (LDHB)


(Homo sapiens (human))
BDBM50066973
PNG
(2,3-Dihydroxy-4-isopropyl-6-methyl-7-(4-trifluorom...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccc(cc3)C(F)(F)F)c(C)cc12
Show InChI InChI=1S/C23H21F3O4/c1-11(2)18-16-8-12(3)14(9-13-4-6-15(7-5-13)23(24,25)26)10-17(16)19(22(29)30)21(28)20(18)27/h4-8,10-11,27-28H,9H2,1-3H3,(H,29,30)
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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 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))
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 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 B (LDHB)


(Homo sapiens (human))
BDBM50010438
PNG
(Acetic acid 1'-acetoxy-8,8'-dicyano-6,7,6',7'-tetr...)
Show SMILES CC(C)c1c(O)c(O)c(C#N)c2c(OC(C)=O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(C)=O
Show InChI InChI=1S/C34H32N2O8/c1-13(2)23-19-9-15(5)25(33(43-17(7)37)27(19)21(11-35)29(39)31(23)41)26-16(6)10-20-24(14(3)4)32(42)30(40)22(12-36)28(20)34(26)44-18(8)38/h9-10,13-14,39-42H,1-8H3
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3.30E+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))
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
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))
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))
BDBM50010444
PNG
(CHEMBL52639 | Pentanoic acid 8,8'-dicyano-6,7,6',7...)
Show SMILES CCCCC(=O)Oc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)CCCC
Show InChI InChI=1S/C40H44N2O8/c1-9-11-13-27(43)49-39-31(21(7)15-23-29(19(3)4)37(47)35(45)25(17-41)33(23)39)32-22(8)16-24-30(20(5)6)38(48)36(46)26(18-42)34(24)40(32)50-28(44)14-12-10-2/h15-16,19-20,45-48H,9-14H2,1-8H3
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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))
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
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))
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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50066973
PNG
(2,3-Dihydroxy-4-isopropyl-6-methyl-7-(4-trifluorom...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccc(cc3)C(F)(F)F)c(C)cc12
Show InChI InChI=1S/C23H21F3O4/c1-11(2)18-16-8-12(3)14(9-13-4-6-15(7-5-13)23(24,25)26)10-17(16)19(22(29)30)21(28)20(18)27/h4-8,10-11,27-28H,9H2,1-3H3,(H,29,30)
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8.10E+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))
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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9.10E+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))
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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9.20E+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))
BDBM50010448
PNG
(2,2'-Diimino-5,5'-diisopropyl-7,7'-dimethyl-2H,2'H...)
Show SMILES CC(C)c1c(O)c(O)c2C(=N)Oc3c(c(C)cc1c23)-c1c2OC(=N)c3c(O)c(O)c(C(C)C)c(cc1C)c23
Show InChI InChI=1S/C30H28N2O6/c1-9(2)15-13-7-11(5)17(27-19(13)21(29(31)37-27)25(35)23(15)33)18-12(6)8-14-16(10(3)4)24(34)26(36)22-20(14)28(18)38-30(22)32/h7-10,31-36H,1-6H3
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9.20E+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))
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)
Lactate dehydrogenase B (LDHB)


(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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>1.25E+5n/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))
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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1.90E+5n/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))
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)
PDB
MMDB

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Article
PubMed
1.90E+5n/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))
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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PubMed
2.50E+5n/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))
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)
PDB
MMDB

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PubMed
>2.50E+5n/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