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Compile Data Set for Download or QSAR

Found 671 hits Enz. Inhib. hit(s) with Target = 'Lactate Dehydrogenase'   
Target
(Institution)
LigandTarget
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
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)

More data for this
Ligand-Target Pair
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=1/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-/s2
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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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50103567
PNG
(CHEMBL3335792)
Show SMILES Clc1ccccc1SC1C(=O)CC(NC1=O)(c1ccsc1)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(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=1/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-/s2
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n/an/a 5n/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...


Citation and Details
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=1/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?/s2
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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


Citation and Details
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=1/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


Citation and Details
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=1/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


Citation and Details
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=1/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


Citation and Details
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=1/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


Citation and Details
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=1/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


Citation and Details
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=1/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


Citation and Details
More data for this
Ligand-Target Pair
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=1/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


Citation and Details
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=1/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


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089946
PNG
(CHEMBL3581182)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccccc1Cl
Show InChI InChI=1/C24H16Cl4O2S/c25-16-6-2-1-5-14(16)15-9-10-18(27)22(23(15)28)13-11-19(29)24(20(30)12-13)31-21-8-4-3-7-17(21)26/h1-10,13,29H,11-12H2
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n/an/a 60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089949
PNG
(CHEMBL3581179)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(NC2CCOCC2)c1Cl
Show InChI InChI=1/C23H22Cl3NO3S/c24-15-3-1-2-4-20(15)31-23-18(28)11-13(12-19(23)29)21-16(25)5-6-17(22(21)26)27-14-7-9-30-10-8-14/h1-6,13-14,27-28H,7-12H2
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n/an/a 60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089944
PNG
(CHEMBL3581184)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccncc1
Show InChI InChI=1/C23H16Cl3NO2S/c24-16-3-1-2-4-20(16)30-23-18(28)11-14(12-19(23)29)21-17(25)6-5-15(22(21)26)13-7-9-27-10-8-13/h1-10,14,28H,11-12H2
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n/an/a 85n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089948
PNG
(CHEMBL3581180)
Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3ccccc3Cl)C(=O)C2)c1Cl
Show InChI InChI=1/C21H19Cl3O3S/c1-11(2)27-17-8-7-14(23)19(20(17)24)12-9-15(25)21(16(26)10-12)28-18-6-4-3-5-13(18)22/h3-8,11-12,25H,9-10H2,1-2H3
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n/an/a 90n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089930
PNG
(CHEMBL3581198)
Show SMILES C[C@H](OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1)c1ccccc1
Show InChI InChI=1/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?/s2
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n/an/a 90n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089951
PNG
(CHEMBL3581177)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Cl)c(C2CC(O)=C(Sc3ccccc3Cl)C(=O)C2)c1Cl
Show InChI InChI=1/C24H23Cl3N2O3S/c1-14(30)28-8-10-29(11-9-28)18-7-6-17(26)22(23(18)27)15-12-19(31)24(20(32)13-15)33-21-5-3-2-4-16(21)25/h2-7,15,31H,8-13H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089947
PNG
(CHEMBL3581181)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccccc1
Show InChI InChI=1/C24H17Cl3O2S/c25-17-8-4-5-9-21(17)30-24-19(28)12-15(13-20(24)29)22-18(26)11-10-16(23(22)27)14-6-2-1-3-7-14/h1-11,15,28H,12-13H2
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n/an/a 100n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089945
PNG
(CHEMBL3581183)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1cccnc1
Show InChI InChI=1/C23H16Cl3NO2S/c24-16-5-1-2-6-20(16)30-23-18(28)10-14(11-19(23)29)21-17(25)8-7-15(22(21)26)13-4-3-9-27-12-13/h1-9,12,14,28H,10-11H2
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n/an/a 108n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089932
PNG
(CHEMBL3581196)
Show SMILES CC(C)OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1/C23H21Cl3O4S/c1-12(2)30-21(29)9-13-6-7-15(24)20(8-13)31-23-18(27)10-14(11-19(23)28)22-16(25)4-3-5-17(22)26/h3-8,12,14,27H,9-11H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM197159
PNG
(3-((2-chlorophenyl)thio)-4-hydroxy-6-phenyl-6-(thi...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccccc1
Show InChI InChI=1/C21H16ClNO2S2/c22-16-8-4-5-9-18(16)27-19-17(24)12-21(23-20(19)25,15-10-11-26-13-15)14-6-2-1-3-7-14/h1-11,13,24H,12H2,(H,23,25)
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n/an/a 120n/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...


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425797
PNG
(CHEMBL2316885)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H32ClFN4O11S/c1-49-27-10-26(21(34)9-23(27)39-28(42)15-51-29-5-3-17(12-38-29)33(47)48)50-14-25(41)31(44)30(43)24(40)13-36-20-7-18(6-19(35)8-20)22-4-2-16(11-37-22)32(45)46/h2-12,24-25,30-31,36,40-41,43-44H,13-15H2,1H3,(H,39,42)(H,45,46)(H,47,48)/t24-,25-,30-,31-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LDH-A (unknown origin) by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089942
PNG
(CHEMBL3581186)
Show SMILES OC1=C(Sc2cc(O)ccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl
Show InChI InChI=1/C18H13Cl3O3S/c19-11-5-4-10(22)8-16(11)25-18-14(23)6-9(7-15(18)24)17-12(20)2-1-3-13(17)21/h1-5,8-9,22-23H,6-7H2
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n/an/a 120n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425797
PNG
(CHEMBL2316885)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H32ClFN4O11S/c1-49-27-10-26(21(34)9-23(27)39-28(42)15-51-29-5-3-17(12-38-29)33(47)48)50-14-25(41)31(44)30(43)24(40)13-36-20-7-18(6-19(35)8-20)22-4-2-16(11-37-22)32(45)46/h2-12,24-25,30-31,36,40-41,43-44H,13-15H2,1H3,(H,39,42)(H,45,46)(H,47,48)/t24-,25-,30-,31-/m1/s1
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n/an/a 120n/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)

More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(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=1/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 120n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LDH-B (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089933
PNG
(CHEMBL3581195)
Show SMILES CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1/C22H19Cl3O4S/c1-2-29-20(28)9-12-6-7-14(23)19(8-12)30-22-17(26)10-13(11-18(22)27)21-15(24)4-3-5-16(21)25/h3-8,13,26H,2,9-11H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate Dehydrogenase


(Plasmodium falciparum)
BDBM23251
PNG
(1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...)
Show SMILES OC(=O)c1ns[nH]c1=O
Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
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290 -37.3 140n/an/an/an/a7.525



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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lactate dehydrogenase B (LDHB)


(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=1/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 140n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LDH-B (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089950
PNG
(CHEMBL3581178)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCNCC2)c1Cl
Show InChI InChI=1/C22H21Cl3N2O2S/c23-14-3-1-2-4-19(14)30-22-17(28)11-13(12-18(22)29)20-15(24)5-6-16(21(20)25)27-9-7-26-8-10-27/h1-6,13,26,28H,7-12H2
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n/an/a 170n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089939
PNG
(CHEMBL3581189)
Show SMILES CNc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1/C19H16Cl3NO2S/c1-23-11-5-6-12(20)17(9-11)26-19-15(24)7-10(8-16(19)25)18-13(21)3-2-4-14(18)22/h2-6,9-10,23-24H,7-8H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052329
PNG
(CHEMBL3318538)
Show SMILES Nc1ccc2nc(SC3=C(O)CC(CC3=O)c3ccccc3)[nH]c2c1
Show InChI InChI=1/C19H17N3O2S/c20-13-6-7-14-15(10-13)22-19(21-14)25-18-16(23)8-12(9-17(18)24)11-4-2-1-3-5-11/h1-7,10,12,23H,8-9,20H2,(H,21,22)
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n/an/a 180n/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


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(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=1/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 180n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LDH-B (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425798
PNG
(CHEMBL2316886)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H31ClFN3O12S/c1-48-27-10-26(21(34)9-23(27)38-28(41)15-51-29-5-3-17(12-37-29)33(46)47)50-14-25(40)31(43)30(42)24(39)13-49-20-7-18(6-19(35)8-20)22-4-2-16(11-36-22)32(44)45/h2-12,24-25,30-31,39-40,42-43H,13-15H2,1H3,(H,38,41)(H,44,45)(H,46,47)/t24-,25-,30-,31-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LDH-A (unknown origin) in absence of 0.1% Triton


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089953
PNG
(CHEMBL3581175)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCN(CC2)C2CC2)c1Cl
Show InChI InChI=1/C25H25Cl3N2O2S/c26-17-3-1-2-4-22(17)33-25-20(31)13-15(14-21(25)32)23-18(27)7-8-19(24(23)28)30-11-9-29(10-12-30)16-5-6-16/h1-4,7-8,15-16,31H,5-6,9-14H2
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n/an/a 230n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(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=1/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 230n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LDH-B (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089955
PNG
(CHEMBL3581173)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCOCC2)c1Cl
Show InChI InChI=1/C22H20Cl3NO3S/c23-14-3-1-2-4-19(14)30-22-17(27)11-13(12-18(22)28)20-15(24)5-6-16(21(20)25)26-7-9-29-10-8-26/h1-6,13,27H,7-12H2
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n/an/a 240n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052300
PNG
(CHEMBL3318527)
Show SMILES OC1=C(Sc2ncccn2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1/C16H14N2O2S/c19-13-9-12(11-5-2-1-3-6-11)10-14(20)15(13)21-16-17-7-4-8-18-16/h1-8,12,19H,9-10H2
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n/an/a 270n/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


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089935
PNG
(CHEMBL3581193)
Show SMILES OCCNC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1/C22H20Cl3NO4S/c23-14-5-4-12(9-20(30)26-6-7-27)8-19(14)31-22-17(28)10-13(11-18(22)29)21-15(24)2-1-3-16(21)25/h1-5,8,13,27-28H,6-7,9-11H2,(H,26,30)
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n/an/a 300n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425798
PNG
(CHEMBL2316886)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H31ClFN3O12S/c1-48-27-10-26(21(34)9-23(27)38-28(41)15-51-29-5-3-17(12-37-29)33(46)47)50-14-25(40)31(43)30(42)24(39)13-49-20-7-18(6-19(35)8-20)22-4-2-16(11-36-22)32(44)45/h2-12,24-25,30-31,39-40,42-43H,13-15H2,1H3,(H,38,41)(H,44,45)(H,46,47)/t24-,25-,30-,31-/m1/s1
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n/an/a 325n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LDH-A (unknown origin) in presence of 0.1% Triton


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040094
PNG
(CHEMBL3359439)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3c2cccc3Br)C1
Show InChI InChI=1/C19H14BrClO3S/c20-13-5-3-4-12-11(13)8-9-19(12)10-15(22)17(18(23)24-19)25-16-7-2-1-6-14(16)21/h1-7,22H,8-10H2
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n/an/a 350n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040093
PNG
(CHEMBL3359438)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3ccccc23)C1
Show InChI InChI=1/C19H15ClO3S/c20-14-7-3-4-8-16(14)24-17-15(21)11-19(23-18(17)22)10-9-12-5-1-2-6-13(12)19/h1-8,21H,9-11H2
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n/an/a 360n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089941
PNG
(CHEMBL3581187)
Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1/C19H15Cl3O3S/c1-25-11-5-6-12(20)17(9-11)26-19-15(23)7-10(8-16(19)24)18-13(21)3-2-4-14(18)22/h2-6,9-10,23H,7-8H2,1H3
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n/an/a 370n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089952
PNG
(CHEMBL3581176)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCN(CC2)C2COC2)c1Cl
Show InChI InChI=1/C25H25Cl3N2O3S/c26-17-3-1-2-4-22(17)34-25-20(31)11-15(12-21(25)32)23-18(27)5-6-19(24(23)28)30-9-7-29(8-10-30)16-13-33-14-16/h1-6,15-16,31H,7-14H2
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n/an/a 370n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(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=1/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 410n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LDH-B (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425798
PNG
(CHEMBL2316886)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H31ClFN3O12S/c1-48-27-10-26(21(34)9-23(27)38-28(41)15-51-29-5-3-17(12-37-29)33(46)47)50-14-25(40)31(43)30(42)24(39)13-49-20-7-18(6-19(35)8-20)22-4-2-16(11-36-22)32(44)45/h2-12,24-25,30-31,39-40,42-43H,13-15H2,1H3,(H,38,41)(H,44,45)(H,46,47)/t24-,25-,30-,31-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LDH-A (unknown origin) by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052322
PNG
(CHEMBL3318535)
Show SMILES OC1=C(Sc2nc3ccccc3o2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1/C19H15NO3S/c21-15-10-13(12-6-2-1-3-7-12)11-16(22)18(15)24-19-20-14-8-4-5-9-17(14)23-19/h1-9,13,21H,10-11H2
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n/an/a 450n/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


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089925
PNG
(CHEMBL3581202)
Show SMILES COc1ccc(C#N)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1
Show InChI InChI=1/C23H21Cl2NO4S/c1-12(2)30-19-7-6-16(24)21(22(19)25)14-8-17(27)23(18(28)9-14)31-20-10-15(29-3)5-4-13(20)11-26/h4-7,10,12,14,27H,8-9H2,1-3H3
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n/an/a 460n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433843
PNG
(CHEMBL2382401)
Show SMILES CC(Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN5O4S2/c1-11(18(27)24-14-6-8-15(9-7-14)32(23,29)30)31-20-25-17(16(10-22)19(28)26-20)12-2-4-13(21)5-3-12/h2-9,11H,1H3,(H,24,27)(H2,23,29,30)(H,25,26,28)
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n/an/a 480n/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)

More data for this
Ligand-Target Pair
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