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Compile Data Set for Download or QSAR

Found 1856 hits of ic50 data for polymerid = 5049,5051   
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))
BDBM50572932
PNG
(CHEMBL4850573)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)-c2ccc(Oc3nn[nH]c3C(O)=O)cc2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 0.0700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA expressed in BL21 gold (DE3) using sodium pyruvate as substrate preincubated for 10 mins followed by sodium pyru...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00196
BindingDB Entry DOI: 10.7270/Q2V128MV
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50572931
PNG
(CHEMBL4855986)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)-c2cccc(Oc3[nH]nnc3C(O)=O)c2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA expressed in BL21 gold (DE3) using sodium pyruvate as substrate preincubated for 10 mins followed by sodium pyru...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00196
BindingDB Entry DOI: 10.7270/Q2V128MV
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50572933
PNG
(CHEMBL4861379)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)-c2ccc(Sc3nn[nH]c3C(O)=O)cc2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA expressed in BL21 gold (DE3) using sodium pyruvate as substrate preincubated for 10 mins followed by sodium pyru...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00196
BindingDB Entry DOI: 10.7270/Q2V128MV
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50572934
PNG
(CHEMBL4847068)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)-c2ccc(cc2)-c2nn[nH]c2C(O)=O)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA expressed in BL21 gold (DE3) using sodium pyruvate as substrate preincubated for 10 mins followed by sodium pyru...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00196
BindingDB Entry DOI: 10.7270/Q2V128MV
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50572930
PNG
(CHEMBL4873879)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3[nH]nnc3C(O)=O)c2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA expressed in BL21 gold (DE3) using sodium pyruvate as substrate preincubated for 10 mins followed by sodium pyru...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00196
BindingDB Entry DOI: 10.7270/Q2V128MV
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50572929
PNG
(CHEMBL4864519)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(Sc3[nH]nnc3C(O)=O)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA expressed in BL21 gold (DE3) using sodium pyruvate as substrate preincubated for 10 mins followed by sodium pyru...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00196
BindingDB Entry DOI: 10.7270/Q2V128MV
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597908
PNG
(CHEMBL5181496)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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n/an/a 0.900n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597908
PNG
(CHEMBL5181496)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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n/an/a 0.900n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50546980
PNG
(CHEMBL4792513)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)C2CCOC2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597906
PNG
(CHEMBL5183539)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@](C1)(c1cccc(Nc2ccc(F)cc2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |r,c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597916
PNG
(CHEMBL5201115)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Oc2ccc(F)cc2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597916
PNG
(CHEMBL5201115)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Oc2ccc(F)cc2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597896
PNG
(CHEMBL5181996)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1ccccc1O |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597896
PNG
(CHEMBL5181996)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1ccccc1O |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597915
PNG
(CHEMBL5185237)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Nc2ccc(F)cc2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597915
PNG
(CHEMBL5185237)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Nc2ccc(F)cc2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597913
PNG
(CHEMBL5194549)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2ccccc2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597913
PNG
(CHEMBL5194549)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2ccccc2)n1 |c:1|
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n/an/a 2.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50103568
PNG
(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)
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n/an/a 2.60n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of LDHA (unknown origin)


Bioorg Med Chem Lett 24: 4915-25 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.041
BindingDB Entry DOI: 10.7270/Q25Q4XV9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50103568
PNG
(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)
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CHEMBL
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UniChem
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n/an/a 2.60n/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))
BDBM50103568
PNG
(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)
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of recombinant human LDHA in the presence of NADH by resazurin dye reduction method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00196
BindingDB Entry DOI: 10.7270/Q2V128MV
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597909
PNG
(CHEMBL5196929)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCOCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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n/an/a 2.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597909
PNG
(CHEMBL5196929)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCOCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597905
PNG
(CHEMBL5182266)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)n1 |c:1|
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n/an/a 2.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597904
PNG
(CHEMBL5176448)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cn2)c1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597904
PNG
(CHEMBL5176448)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cn2)c1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597905
PNG
(CHEMBL5182266)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)n1 |c:1|
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n/an/a 2.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM197160
PNG
(GNE-140 (6))
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1|
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
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n/an/a 3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM197160
PNG
(GNE-140 (6))
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1|
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
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n/an/a 3n/an/an/an/an/an/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
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50546969
PNG
(CHEMBL4786682 | US11247971, Cmpd ID 409)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CCCO)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534318
PNG
(CHEMBL4576717)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)c1 |c:1|
Show InChI InChI=1S/C27H20ClFN2O2S2/c28-22-6-1-2-7-24(22)35-25-23(32)15-27(31-26(25)33,18-12-13-34-16-18)17-4-3-5-21(14-17)30-20-10-8-19(29)9-11-20/h1-14,16,30,32H,15H2,(H,31,33)
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Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597907
PNG
(CHEMBL5189879)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1cccc(Nc2ccc(F)cc2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |r,c:1|
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n/an/a 3.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597914
PNG
(CHEMBL5188480)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2cccc3ncccc23)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597914
PNG
(CHEMBL5188480)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2cccc3ncccc23)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534305
PNG
(CHEMBL4435570)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(NC2CCCCC2)c1 |c:1|
Show InChI InChI=1S/C27H27ClN2O2S2/c28-22-11-4-5-12-24(22)34-25-23(31)16-27(30-26(25)32,19-13-14-33-17-19)18-7-6-10-21(15-18)29-20-8-2-1-3-9-20/h4-7,10-15,17,20,29,31H,1-3,8-9,16H2,(H,30,32)
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50597902
PNG
(CHEMBL5177632)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)O[C@@](C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)c1 |r,c:1|
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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM537077
PNG
(US11247971, Cmpd ID 400)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CC3(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM489091
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- ((tetrah...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CCOC3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H28F2N4O6S2/c30-21-5-4-19(12-25(21)41-14-18-7-8-40-13-18)27-20(9-17-3-6-26(22(31)10-17)43(32,38)39)24(11-16-1-2-16)35(34-27)29-33-23(15-42-29)28(36)37/h3-6,10,12,15-16,18H,1-2,7-9,11,13-14H2,(H,36,37)(H2,32,38,39)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50103567
PNG
(CHEMBL3335792)
Show SMILES Clc1ccccc1SC1C(=O)CC(NC1=O)(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/h1-9,14,16,23H,10-13,15H2,(H,27,30)
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n/an/a 5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of LDHA (unknown origin)


Bioorg Med Chem Lett 24: 4915-25 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.041
BindingDB Entry DOI: 10.7270/Q25Q4XV9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534309
PNG
(CHEMBL4467769)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(cc1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)N1)c1ccsc1 |t:20|
Show InChI InChI=1S/C27H26ClN3O3S2/c1-18(32)30-11-13-31(14-12-30)21-8-6-19(7-9-21)27(20-10-15-35-17-20)16-23(33)25(26(34)29-27)36-24-5-3-2-4-22(24)28/h2-10,15,17,33H,11-14,16H2,1H3,(H,29,34)
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Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50546981
PNG
(CHEMBL4797357)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2CCOC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM489090
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- ((tetrah...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CCCO3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H28F2N4O6S2/c30-21-7-6-18(13-25(21)41-14-19-2-1-9-40-19)27-20(10-17-5-8-26(22(31)11-17)43(32,38)39)24(12-16-3-4-16)35(34-27)29-33-23(15-42-29)28(36)37/h5-8,11,13,15-16,19H,1-4,9-10,12,14H2,(H,36,37)(H2,32,38,39)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM489160
PNG
(2-(3-(3-(tert- butylcarbamoyl)-4- fluorophenyl)-5-...)
Show SMILES CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
Show InChI InChI=1S/C29H29F2N5O5S2/c1-29(2,3)34-26(37)18-13-17(7-8-20(18)30)25-19(10-16-6-9-24(21(31)11-16)43(32,40)41)23(12-15-4-5-15)36(35-25)28-33-22(14-42-28)27(38)39/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,34,37)(H,38,39)(H2,32,40,41)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50089931
PNG
(CHEMBL3581197)
Show SMILES C[C@@H](OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1)c1ccccc1 |r,c:13|
Show InChI InChI=1S/C28H23Cl3O4S/c1-16(18-6-3-2-4-7-18)35-26(34)13-17-10-11-20(29)25(12-17)36-28-23(32)14-19(15-24(28)33)27-21(30)8-5-9-22(27)31/h2-12,16,19,32H,13-15H2,1H3/t16-,19?/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50546978
PNG
(CHEMBL4752940)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2COC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50569440
PNG
(CHEMBL4877988 | US11752138, Compound 152)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(NC(=O)c3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534323
PNG
(CHEMBL4444963)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCCC1 |c:1|
Show InChI InChI=1S/C25H23ClN2O2S2/c26-20-5-1-2-6-22(20)32-23-21(29)15-25(27-24(23)30,18-11-14-31-16-18)17-7-9-19(10-8-17)28-12-3-4-13-28/h1-2,5-11,14,16,29H,3-4,12-13,15H2,(H,27,30)
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Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50546979
PNG
(CHEMBL4747300 | US11247971, Cmpd ID 423)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC2CCOC2)-c2nc(cs2)C(O)=O)cc1F
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50546977
PNG
(CHEMBL4759378)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)C2COC2)-c2nc(cs2)C(O)=O)cc1F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50546975
PNG
(CHEMBL4749903)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2CCCC2)-c2nc(cs2)C(O)=O)cc1F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
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