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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50066980   
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))
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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Article
PubMed
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
L-lactate dehydrogenase B 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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Article
PubMed
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))
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
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Article
PubMed
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
L-lactate dehydrogenase B 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)
PDB
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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
L-lactate dehydrogenase B 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)
PDB
MMDB

Reactome pathway
KEGG

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PC sid
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Article
PubMed
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