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Compile Data Set for Download or QSAR

Found 590 hits of ic50 data for polymerid = 5049,5051,5051   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH5 in presence of NADH


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
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))
BDBM197160
PNG
(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
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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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM197160
PNG
(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
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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))
BDBM50534318
PNG
(CHEMBL4576717)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)c1
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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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
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
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
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
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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n/an/a 5n/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
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(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
Lactate dehydrogenase A (LDHA)


(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
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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n/an/a 6n/an/an/an/an/an/a



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))
BDBM50534323
PNG
(CHEMBL4444963)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCCC1
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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n/an/a 7n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534330
PNG
(CHEMBL4520899)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C26H25ClN2O2S2/c27-21-6-2-3-7-23(21)33-24-22(30)16-26(28-25(24)31,19-12-15-32-17-19)18-8-10-20(11-9-18)29-13-4-1-5-14-29/h2-3,6-12,15,17,30H,1,4-5,13-14,16H2,(H,28,31)
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n/an/a 9n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534334
PNG
(CHEMBL4436150)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(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)
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n/an/a 9n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50250655
PNG
(CHEMBL4059985)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C24H22N4O4S2/c25-34(31,32)18-10-8-15(9-11-18)12-19-21(13-16-6-7-16)28(24-26-20(14-33-24)23(29)30)27-22(19)17-4-2-1-3-5-17/h1-5,8-11,14,16H,6-7,12-13H2,(H,29,30)(H2,25,31,32)
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n/an/a 9n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50250655
PNG
(CHEMBL4059985)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C24H22N4O4S2/c25-34(31,32)18-10-8-15(9-11-18)12-19-21(13-16-6-7-16)28(24-26-20(14-33-24)23(29)30)27-22(19)17-4-2-1-3-5-17/h1-5,8-11,14,16H,6-7,12-13H2,(H,29,30)(H2,25,31,32)
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n/an/a 9n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534304
PNG
(CHEMBL4545064)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(NC2CCOCC2)c1
Show InChI InChI=1S/C26H25ClN2O3S2/c27-21-6-1-2-7-23(21)34-24-22(30)15-26(29-25(24)31,18-10-13-33-16-18)17-4-3-5-20(14-17)28-19-8-11-32-12-9-19/h1-7,10,13-14,16,19,28,30H,8-9,11-12,15H2,(H,29,31)
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n/an/a 9n/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
More data for this
Ligand-Target Pair
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
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<10n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534331
PNG
(CHEMBL4475593)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCC(CC1)C#N
Show InChI InChI=1S/C27H24ClN3O2S2/c28-22-3-1-2-4-24(22)35-25-23(32)15-27(30-26(25)33,20-11-14-34-17-20)19-5-7-21(8-6-19)31-12-9-18(16-29)10-13-31/h1-8,11,14,17-18,32H,9-10,12-13,15H2,(H,30,33)
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n/an/a 10n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534335
PNG
(CHEMBL4536094)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C25H23ClN2O4S3/c26-20-3-1-2-4-22(20)34-23-21(29)15-25(27-24(23)30,18-9-12-33-16-18)17-5-7-19(8-6-17)28-10-13-35(31,32)14-11-28/h1-9,12,16,29H,10-11,13-15H2,(H,27,30)
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n/an/a 13n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534329
PNG
(CHEMBL4521960)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(O)cc1
Show InChI InChI=1S/C21H16ClNO3S2/c22-16-3-1-2-4-18(16)28-19-17(25)11-21(23-20(19)26,14-9-10-27-12-14)13-5-7-15(24)8-6-13/h1-10,12,24-25H,11H2,(H,23,26)
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n/an/a 14n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534307
PNG
(CHEMBL4543949)
Show SMILES CC1(C)CN(CCO1)c1ccc(cc1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)N1)c1ccsc1
Show InChI InChI=1S/C27H27ClN2O3S2/c1-26(2)17-30(12-13-33-26)20-9-7-18(8-10-20)27(19-11-14-34-16-19)15-22(31)24(25(32)29-27)35-23-6-4-3-5-21(23)28/h3-11,14,16,31H,12-13,15,17H2,1-2H3,(H,29,32)
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n/an/a 15n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534316
PNG
(CHEMBL4453059)
Show SMILES CN(C)c1ccc(cc1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)N1)c1ccsc1
Show InChI InChI=1S/C23H21ClN2O2S2/c1-26(2)17-9-7-15(8-10-17)23(16-11-12-29-14-16)13-19(27)21(22(28)25-23)30-20-6-4-3-5-18(20)24/h3-12,14,27H,13H2,1-2H3,(H,25,28)
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n/an/a 15n/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
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089926
PNG
(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
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n/an/a 15n/an/an/an/an/an/a



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))
BDBM50144758
PNG
(CHEMBL3765327)
Show SMILES COc1ncc(-c2ccc3c(Nc4cc(cc(c4)C(O)=O)C4CCCC4)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1
Show InChI InChI=1S/C30H31N5O6S/c1-40-28-24(15-32-30(34-28)41-2)18-7-10-23-25(14-18)31-16-26(42(38,39)35-21-8-9-21)27(23)33-22-12-19(17-5-3-4-6-17)11-20(13-22)29(36)37/h7,10-17,21,35H,3-6,8-9H2,1-2H3,(H,31,33)(H,36,37)
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n/an/a 16n/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))
BDBM50534306
PNG
(CHEMBL4450897)
Show SMILES COC1CCN(CC1)c1ccc(cc1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)N1)c1ccsc1
Show InChI InChI=1S/C27H27ClN2O3S2/c1-33-21-10-13-30(14-11-21)20-8-6-18(7-9-20)27(19-12-15-34-17-19)16-23(31)25(26(32)29-27)35-24-5-3-2-4-22(24)28/h2-9,12,15,17,21,31H,10-11,13-14,16H2,1H3,(H,29,32)
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n/an/a 16n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534327
PNG
(CHEMBL4557701)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCC2(COC2)CC1
Show InChI InChI=1S/C28H27ClN2O3S2/c29-22-3-1-2-4-24(22)36-25-23(32)15-28(30-26(25)33,20-9-14-35-16-20)19-5-7-21(8-6-19)31-12-10-27(11-13-31)17-34-18-27/h1-9,14,16,32H,10-13,15,17-18H2,(H,30,33)
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n/an/a 17n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50250653
PNG
(CHEMBL4090677)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H20N4O4S2/c24-33(30,31)17-10-6-14(7-11-17)12-18-20(15-4-2-1-3-5-15)26-27(21(18)16-8-9-16)23-25-19(13-32-23)22(28)29/h1-7,10-11,13,16H,8-9,12H2,(H,28,29)(H2,24,30,31)
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n/an/a 19n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50250653
PNG
(CHEMBL4090677)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H20N4O4S2/c24-33(30,31)17-10-6-14(7-11-17)12-18-20(15-4-2-1-3-5-15)26-27(21(18)16-8-9-16)23-25-19(13-32-23)22(28)29/h1-7,10-11,13,16H,8-9,12H2,(H,28,29)(H2,24,30,31)
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n/an/a 19n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534326
PNG
(CHEMBL4543194)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C25H21ClN2O4S2/c26-19-3-1-2-4-21(19)34-23-20(29)13-25(27-24(23)31,17-9-12-33-15-17)16-5-7-18(8-6-16)28-10-11-32-14-22(28)30/h1-9,12,15,29H,10-11,13-14H2,(H,27,31)
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n/an/a 21n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534320
PNG
(CHEMBL4583899)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C27H26ClNO2S2/c28-22-8-4-5-9-24(22)33-25-23(30)16-27(29-26(25)31,21-14-15-32-17-21)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h4-5,8-15,17-18,30H,1-3,6-7,16H2,(H,29,31)
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n/an/a 25n/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
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089927
PNG
(CHEMBL3581200)
Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1
Show InChI InChI=1S/C22H21Cl3O4S/c1-11(2)29-18-7-6-15(24)20(21(18)25)12-8-16(26)22(17(27)9-12)30-19-10-13(28-3)4-5-14(19)23/h4-7,10-12,26H,8-9H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



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))
BDBM50534325
PNG
(CHEMBL4534918)
Show SMILES CC1CN(CC(C)O1)c1ccc(cc1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)N1)c1ccsc1
Show InChI InChI=1S/C27H27ClN2O3S2/c1-17-14-30(15-18(2)33-17)21-9-7-19(8-10-21)27(20-11-12-34-16-20)13-23(31)25(26(32)29-27)35-24-6-4-3-5-22(24)28/h3-12,16-18,31H,13-15H2,1-2H3,(H,29,32)
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n/an/a 27n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50250677
PNG
(CHEMBL4100845)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H24N4O4S2/c30-39(36,37)23-13-9-18(10-14-23)15-24-26(22-8-4-7-21(16-22)19-5-2-1-3-6-19)32-33(27(24)20-11-12-20)29-31-25(17-38-29)28(34)35/h1-10,13-14,16-17,20H,11-12,15H2,(H,34,35)(H2,30,36,37)
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n/an/a 27n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50250677
PNG
(CHEMBL4100845)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H24N4O4S2/c30-39(36,37)23-13-9-18(10-14-23)15-24-26(22-8-4-7-21(16-22)19-5-2-1-3-6-19)32-33(27(24)20-11-12-20)29-31-25(17-38-29)28(34)35/h1-10,13-14,16-17,20H,11-12,15H2,(H,34,35)(H2,30,36,37)
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n/an/a 27n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089923
PNG
(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
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n/an/a 30n/an/an/an/an/an/a



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
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089929
PNG
(CHEMBL3581205)
Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(NC3CCOCC3)c2Cl)c1
Show InChI InChI=1S/C24H24Cl3NO4S/c1-31-15-2-3-16(25)21(12-15)33-24-19(29)10-13(11-20(24)30)22-17(26)4-5-18(23(22)27)28-14-6-8-32-9-7-14/h2-5,12-14,28-29H,6-11H2,1H3
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n/an/a 30n/an/an/an/an/an/a



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
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040095
PNG
(CHEMBL3359440)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3c2cccc3-c2ccccc2)C1
Show InChI InChI=1S/C25H19ClO3S/c26-20-11-4-5-12-22(20)30-23-21(27)15-25(29-24(23)28)14-13-18-17(9-6-10-19(18)25)16-7-2-1-3-8-16/h1-12,27H,13-15H2
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n/an/a 30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089928
PNG
(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
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n/an/a 30n/an/an/an/an/an/a



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))
BDBM50250656
PNG
(CHEMBL4081890)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H26N4O4S2/c31-40(37,38)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)34(30-32-26(18-39-30)29(35)36)33-28(25)23-8-4-7-22(17-23)21-5-2-1-3-6-21/h1-8,11-14,17-18,20H,9-10,15-16H2,(H,35,36)(H2,31,37,38)
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n/an/a 32n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50250656
PNG
(CHEMBL4081890)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H26N4O4S2/c31-40(37,38)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)34(30-32-26(18-39-30)29(35)36)33-28(25)23-8-4-7-22(17-23)21-5-2-1-3-6-21/h1-8,11-14,17-18,20H,9-10,15-16H2,(H,35,36)(H2,31,37,38)
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n/an/a 32n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089924
PNG
(CHEMBL3581203)
Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccncc2)c1
Show InChI InChI=1S/C24H18Cl3NO3S/c1-31-15-2-4-17(25)21(12-15)32-24-19(29)10-14(11-20(24)30)22-18(26)5-3-16(23(22)27)13-6-8-28-9-7-13/h2-9,12,14,29H,10-11H2,1H3
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n/an/a 35n/an/an/an/an/an/a



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))
BDBM50534333
PNG
(CHEMBL4555982)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(Oc2ccc(F)cc2)c1
Show InChI InChI=1S/C27H19ClFNO3S2/c28-22-6-1-2-7-24(22)35-25-23(31)15-27(30-26(25)32,18-12-13-34-16-18)17-4-3-5-21(14-17)33-20-10-8-19(29)9-11-20/h1-14,16,31H,15H2,(H,30,32)
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n/an/a 37n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50250648
PNG
(CHEMBL4080497)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H20N4O4S2/c27-36(33,34)22-11-9-17(10-12-22)13-21-15-30(26-28-23(16-35-26)25(31)32)29-24(21)20-8-4-7-19(14-20)18-5-2-1-3-6-18/h1-12,14-16H,13H2,(H,31,32)(H2,27,33,34)
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n/an/a 38n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
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 38n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50250648
PNG
(CHEMBL4080497)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H20N4O4S2/c27-36(33,34)22-11-9-17(10-12-22)13-21-15-30(26-28-23(16-35-26)25(31)32)29-24(21)20-8-4-7-19(14-20)18-5-2-1-3-6-18/h1-12,14-16H,13H2,(H,31,32)(H2,27,33,34)
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n/an/a 38n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
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 38n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089934
PNG
(CHEMBL3581194)
Show SMILES COC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H17Cl3O4S/c1-28-19(27)8-11-5-6-13(22)18(7-11)29-21-16(25)9-12(10-17(21)26)20-14(23)3-2-4-15(20)24/h2-7,12,25H,8-10H2,1H3
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n/an/a 40n/an/an/an/an/an/a



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))
BDBM50534313
PNG
(CHEMBL4444202)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(O)c1
Show InChI InChI=1S/C21H16ClNO3S2/c22-16-6-1-2-7-18(16)28-19-17(25)11-21(23-20(19)26,14-8-9-27-12-14)13-4-3-5-15(24)10-13/h1-10,12,24-25H,11H2,(H,23,26)
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n/an/a 42n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50250689
PNG
(CHEMBL4069726)
Show SMILES Cc1c(Cc2ccc(cc2)S(N)(=O)=O)c(nn1-c1nc(cs1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C21H18N4O4S2/c1-13-17(11-14-7-9-16(10-8-14)31(22,28)29)19(15-5-3-2-4-6-15)24-25(13)21-23-18(12-30-21)20(26)27/h2-10,12H,11H2,1H3,(H,26,27)(H2,22,28,29)
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n/an/a 42n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...


J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534322
PNG
(CHEMBL4468333)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H28ClN3O3S2/c29-23-3-1-2-4-25(23)37-26-24(33)15-28(30-27(26)34,20-9-14-36-18-20)19-5-7-21(8-6-19)31-10-12-32(13-11-31)22-16-35-17-22/h1-9,14,18,22,33H,10-13,15-17H2,(H,30,34)
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n/an/a 47n/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
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534321
PNG
(CHEMBL4575930)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H24ClN3O2S2/c26-20-3-1-2-4-22(20)33-23-21(30)15-25(28-24(23)31,18-9-14-32-16-18)17-5-7-19(8-6-17)29-12-10-27-11-13-29/h1-9,14,16,27,30H,10-13,15H2,(H,28,31)
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n/an/a 52n/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
More data for this
Ligand-Target Pair
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