Found 273 hits Enz. Inhib. hit(s) with Target = 'Lactate Dehydrogenase' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Lactate dehydrogenase B (LDHB)
(Homo sapiens (Human)) | BDBM50066974
(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) | PDB
MMDB
Reactome pathway
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| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-6,7-dimethyl-4-propyl-naphthalene-1-...)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) | PDB
MMDB
Reactome pathway
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CHEMBL
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PC sid
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| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Plasmodium falciparum) | BDBM23232
(1,2,5-oxadiazole, OXD1 | 4-hydroxy-1,2,5-oxadiazol...)Show InChI InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8) | PDB
MMDB
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| PDB
Article
PubMed
| 210 | -38.1 | 650 | n/a | n/a | n/a | n/a | 7.5 | 25 |
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 Structure (crystal) |
Lactate Dehydrogenase
(Plasmodium falciparum) | BDBM23251
(1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...)Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8) | PDB
MMDB
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| MMDB
PDB
Article
PubMed
| 290 | -37.3 | 140 | n/a | n/a | n/a | n/a | 7.5 | 25 |
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 Structure (crystal) |
Lactate dehydrogenase B (LDHB)
(Homo sapiens (Human)) | BDBM50010449
(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 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Plasmodium falciparum) | BDBM23242
(1,2(1,5)-Isoxazole, IOA1 | 3-hydroxy-1,2-oxazole-4...)Show InChI InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8) | PDB
MMDB
KEGG
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| MMDB
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| MMDB
PDB
Article
PubMed
| 470 | -36.1 | 1.10E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
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 Structure (crystal) |
Lactate dehydrogenase B (LDHB)
(Homo sapiens (Human)) | BDBM50066976
(7-Benzyl-2,3-dihydroxy-4,6-dimethyl-naphthalene-1-...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
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PC cid
PC sid
UniChem
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PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
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CHEMBL
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PC sid
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| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
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| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
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CHEMBL
KEGG
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-4-isopropyl-6,7-dimethyl-naphthalene...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-4,6,7-trimethyl-naphthalene-1-carbox...)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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL3763517)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-6,7-dimethyl-4-propyl-naphthalene-1-...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50066979
(2,3-Dihydroxy-6,7-dimethyl-4-propyl-naphthalene-1-...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50144747
(CHEMBL3763517)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-4,6-dimethyl-naphthalene-1-carboxyli...)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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(7-Benzyl-2,3-dihydroxy-4,6-dimethyl-naphthalene-1-...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50010444
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(7-Benzyl-2,3-dihydroxy-4,6-dimethyl-naphthalene-1-...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-4-isopropyl-6,7-dimethyl-naphthalene...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-4-isopropyl-6,7-dimethyl-naphthalene...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50066973
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50010448
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 9.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50031638
(2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Oxalamic acid | Oxamate | Oxamate, 3 | Oxamidic Ac...)Show InChI InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| Purchase
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| DrugBank
PDB
Article
PubMed
| 9.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Lactate dehydrogenase B (LDHB)
(Homo sapiens (Human)) | BDBM50144743
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-4,6,7-trimethyl-naphthalene-1-carbox...)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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-4,6,7-trimethyl-naphthalene-1-carbox...)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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2,3-Dihydroxy-4,6-dimethyl-naphthalene-1-carboxyli...)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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50066978
(2,3-Dihydroxy-4,6-dimethyl-naphthalene-1-carboxyli...)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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM197160
(GNE-140 (6))Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
| Assay Description
LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37... |
Nat Chem Biol 12: 779-86 (2016)
Article DOI: 10.1038/nchembio.2143
BindingDB Entry DOI: 10.7270/Q2W95800 |
More data for this
Ligand-Target Pair | |
Lactate dehydrogenase B (LDHB)
(Homo sapiens (Human)) | BDBM50103568
(CHEMBL3335794)Show SMILES COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(c4)C(O)=O)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1 Show InChI InChI=1S/C31H25F2N5O7S/c1-43-29-25(14-35-31(37-29)44-2)16-3-6-24-26(9-16)34-15-27(46(41,42)38-20-4-5-20)28(24)36-21-7-17(30(39)40)8-22(13-21)45-23-11-18(32)10-19(33)12-23/h3,6-15,20,38H,4-5H2,1-2H3,(H,34,36)(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50089923
(CHEMBL3581204)Show SMILES CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccccc2)c1 Show InChI InChI=1S/C28H23Cl3O4S/c1-2-35-25(34)13-16-8-10-20(29)24(12-16)36-28-22(32)14-18(15-23(28)33)26-21(30)11-9-19(27(26)31)17-6-4-3-5-7-17/h3-12,18,32H,2,13-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of LDH-B (unknown origin) |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this
Ligand-Target Pair | |
Lactate dehydrogenase B (LDHB)
(Homo sapiens (Human)) | BDBM50089926
(CHEMBL3581201)Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3C#N)C(=O)C2)c1Cl Show InChI InChI=1S/C22H19Cl2NO4S/c1-11(2)29-18-6-5-15(23)20(21(18)24)13-7-16(27)22(17(28)8-13)30-19-9-14(26)4-3-12(19)10-25/h3-6,9,11,13,26-27H,7-8H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of LDH-B (unknown origin) |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this
Ligand-Target Pair | |
Lactate dehydrogenase B (LDHB)
(Homo sapiens (Human)) | BDBM50089928
(CHEMBL3581199)Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3Cl)C(=O)C2)c1Cl Show InChI InChI=1S/C21H19Cl3O4S/c1-10(2)28-17-6-5-14(23)19(20(17)24)11-7-15(26)21(16(27)8-11)29-18-9-12(25)3-4-13(18)22/h3-6,9-11,25-26H,7-8H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of LDH-B (unknown origin) |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this
Ligand-Target Pair | |
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