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Compile Data Set for Download or QSAR

Found 273 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 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 B (LDHB)


(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 43n/an/an/an/an/an/a


TBA



Citation and Details
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


(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 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 B (LDHB)


(Homo sapiens (human))
BDBM50144758
PNG
(CHEMBL3765327)
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n/an/a 220n/an/an/an/an/an/a


TBA



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 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 B (LDHB)


(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 490n/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


(Plasmodium falciparum)
BDBM23232
PNG
(1,2,5-oxadiazole, OXD1 | 4-hydroxy-1,2,5-oxadiazol...)
Show SMILES OC(=O)c1no[nH]c1=O
Show InChI InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
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210 -38.1 650n/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 (crystal)
Lactate dehydrogenase B (LDHB)


(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 740n/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 B (LDHB)


(Homo sapiens (human))
BDBM50052407
PNG
(CHEMBL3318485)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Br)cccc1Br
Show InChI InChI=1/C19H13Br2NO2S/c20-13-5-3-6-14(21)18(13)12-8-15(23)19(16(24)9-12)25-17-7-2-1-4-11(17)10-22/h1-7,12,23H,8-9H2
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n/an/a 860n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Plasmodium falciparum)
BDBM23242
PNG
(1,2(1,5)-Isoxazole, IOA1 | 3-hydroxy-1,2-oxazole-4...)
Show SMILES OC(=O)c1co[nH]c1=O
Show InChI InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8)
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470 -36.1 1.10E+3n/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))
BDBM50052260
PNG
(CHEMBL3318473)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(F)cccc1F
Show InChI InChI=1/C18H13ClF2O2S/c19-11-4-1-2-7-16(11)24-18-14(22)8-10(9-15(18)23)17-12(20)5-3-6-13(17)21/h1-7,10,22H,8-9H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Plasmodium falciparum)
BDBM23229
PNG
(Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(OC)c4)cc3o2)cc1
Show InChI InChI=1S/C29H26N2O10/c1-38-18-6-3-17(4-7-18)15-30-27(34)25-14-22(33)26-21(32)12-19(13-24(26)41-25)40-10-9-16-5-8-20(23(11-16)39-2)31-28(35)29(36)37/h3-8,11-14,32H,9-10,15H2,1-2H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 1.75E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


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


(Homo sapiens (human))
BDBM50052400
PNG
(CHEMBL3318475)
Show SMILES Cc1cccc(C)c1C1CC(O)=C(Sc2ccccc2Cl)C(=O)C1
Show InChI InChI=1/C20H19ClO2S/c1-12-6-5-7-13(2)19(12)14-10-16(22)20(17(23)11-14)24-18-9-4-3-8-15(18)21/h3-9,14,22H,10-11H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50052247
PNG
(CHEMBL3318482)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br
Show InChI InChI=1/C19H13BrClNO2S/c20-13-5-3-6-14(21)18(13)12-8-15(23)19(16(24)9-12)25-17-7-2-1-4-11(17)10-22/h1-7,12,23H,8-9H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50433841
PNG
(CHEMBL2382403)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15ClFN5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV...


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


(Homo sapiens (human))
BDBM50433840
PNG
(CHEMBL2382404)
Show SMILES CCC(Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H18ClN5O4S2/c1-2-17(20(29)25-14-7-9-15(10-8-14)33(24,30)31)32-21-26-18(16(11-23)19(28)27-21)12-3-5-13(22)6-4-12/h3-10,17H,2H2,1H3,(H,25,29)(H2,24,30,31)(H,26,27,28)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV...


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


(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 2.40E+3n/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


(Plasmodium falciparum)
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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PubMed
n/an/a 2.64E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


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


(Homo sapiens (human))
BDBM50052405
PNG
(CHEMBL3318483)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1/C20H13ClF3NO2S/c21-14-6-3-5-13(20(22,23)24)18(14)12-8-15(26)19(16(27)9-12)28-17-7-2-1-4-11(17)10-25/h1-7,12,26H,8-9H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(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 3.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV...


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


(Plasmodium falciparum)
BDBM23227
PNG
(Oxamic acid derivative, 5 | [(4-{2-[(5-hydroxy-2-{...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1
Show InChI InChI=1S/C28H24N2O9/c1-37-19-8-4-17(5-9-19)15-29-26(33)24-14-22(32)25-21(31)12-20(13-23(25)39-24)38-11-10-16-2-6-18(7-3-16)30-27(34)28(35)36/h2-9,12-14,31H,10-11,15H2,1H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 3.13E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


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


(Homo sapiens (human))
BDBM50052258
PNG
(CHEMBL3318471)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Br
Show InChI InChI=1/C18H13BrCl2O2S/c19-11-4-3-6-13(21)17(11)10-8-14(22)18(15(23)9-10)24-16-7-2-1-5-12(16)20/h1-7,10,22H,8-9H2
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n/an/a 3.40E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50433842
PNG
(CHEMBL2382402)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15Cl2N5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV...


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


(Plasmodium falciparum)
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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n/an/a 3.97E+3n/an/an/an/an/an/a



University of Mississippi



Assay Description
Enzyme assay using recombinant pfLDH and mLDH (bovine heart).


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


(Homo sapiens (human))
BDBM50052254
PNG
(2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl
Show InChI InChI=1/C18H13Cl3O2S/c19-11-4-1-2-7-16(11)24-18-14(22)8-10(9-15(18)23)17-12(20)5-3-6-13(17)21/h1-7,10,22H,8-9H2
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n/an/a 4.40E+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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (human))
BDBM50052246
PNG
(CHEMBL3318481)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl
Show InChI InChI=1/C19H13Cl2NO2S/c20-13-5-3-6-14(21)18(13)12-8-15(23)19(16(24)9-12)25-17-7-2-1-4-11(17)10-22/h1-7,12,23H,8-9H2
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n/an/a 4.90E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50441115
PNG
(CHEMBL2430713)
Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN4O2/c1-11(12-5-7-15(20)8-6-12)23-18-17(21)22-10-16(24-18)13-3-2-4-14(9-13)19(25)26/h2-11H,1H3,(H2,21,22)(H,23,24)(H,25,26)/t11-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in Escherichia coli using pyruvate as substrate assessed as dis...


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


(Homo sapiens (human))
BDBM50052257
PNG
(CHEMBL3318470)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(F)cccc1Cl
Show InChI InChI=1/C18H13Cl2FO2S/c19-11-4-1-2-7-16(11)24-18-14(22)8-10(9-15(18)23)17-12(20)5-3-6-13(17)21/h1-7,10,22H,8-9H2
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n/an/a 5.30E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50441120
PNG
(CHEMBL2430732)
Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1C)C(O)=O)c1ccccc1
Show InChI InChI=1S/C20H20N4O2/c1-12-8-9-15(20(25)26)10-16(12)17-11-22-18(21)19(24-17)23-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H2,21,22)(H,23,24)(H,25,26)/t13-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in Escherichia coli using pyruvate as substrate assessed as dis...


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


(Homo sapiens (human))
BDBM50052402
PNG
(CHEMBL3318478)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1Cl
Show InChI InChI=1/C19H14ClNO2S/c20-15-7-3-2-6-14(15)13-9-16(22)19(17(23)10-13)24-18-8-4-1-5-12(18)11-21/h1-8,13,22H,9-10H2
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n/an/a 6.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50052253
PNG
(CHEMBL3318468)
Show SMILES COc1ccc(cc1)C1CC(O)=C(Sc2ccccc2Cl)C(=O)C1
Show InChI InChI=1/C19H17ClO3S/c1-23-14-8-6-12(7-9-14)13-10-16(21)19(17(22)11-13)24-18-5-3-2-4-15(18)20/h2-9,13,21H,10-11H2,1H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50052254
PNG
(2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl
Show InChI InChI=1/C18H13Cl3O2S/c19-11-4-1-2-7-16(11)24-18-14(22)8-10(9-15(18)23)17-12(20)5-3-6-13(17)21/h1-7,10,22H,8-9H2
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n/an/a 6.90E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of LDHB (unknown origin)


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

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


(Bos taurus (Bovine))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Mississippi



Assay Description
Enzyme assay using recombinant pfLDH and mLDH (bovine heart).


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


(Homo sapiens (human))
BDBM50441121
PNG
(CHEMBL2430731)
Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cc(C)cc(c1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C20H20N4O2/c1-12-8-15(10-16(9-12)20(25)26)17-11-22-18(21)19(24-17)23-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H2,21,22)(H,23,24)(H,25,26)/t13-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in Escherichia coli using pyruvate as substrate assessed as dis...


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


(Homo sapiens (human))
BDBM50441119
PNG
(CHEMBL2430733)
Show SMILES CC(C)c1ccc(cc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C22H24N4O2/c1-13(2)17-10-9-16(22(27)28)11-18(17)19-12-24-20(23)21(26-19)25-14(3)15-7-5-4-6-8-15/h4-14H,1-3H3,(H2,23,24)(H,25,26)(H,27,28)/t14-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in Escherichia coli using pyruvate as substrate assessed as dis...


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


(Homo sapiens (human))
BDBM50441118
PNG
(CHEMBL2430734)
Show SMILES COc1ccc(cc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C20H20N4O3/c1-12(13-6-4-3-5-7-13)23-19-18(21)22-11-16(24-19)15-10-14(20(25)26)8-9-17(15)27-2/h3-12H,1-2H3,(H2,21,22)(H,23,24)(H,25,26)/t12-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in Escherichia coli using pyruvate as substrate assessed as dis...


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


(Homo sapiens (human))
BDBM50052401
PNG
(CHEMBL3318477)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(cccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C20H13ClF6O2S/c21-13-6-1-2-7-16(13)30-18-14(28)8-10(9-15(18)29)17-11(19(22,23)24)4-3-5-12(17)20(25,26)27/h1-7,10,28H,8-9H2
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n/an/a 7.40E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50433839
PNG
(CHEMBL2382405)
Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-7-9-16(10-8-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-5-4-6-15(11-13)32-2/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV...


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


(Homo sapiens (human))
BDBM50052406
PNG
(CHEMBL3318484)
Show SMILES Cc1cccc(C)c1C1CC(O)=C(Sc2ccccc2C#N)C(=O)C1
Show InChI InChI=1/C21H19NO2S/c1-13-6-5-7-14(2)20(13)16-10-17(23)21(18(24)11-16)25-19-9-4-3-8-15(19)12-22/h3-9,16,23H,10-11H2,1-2H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Homo sapiens (human))
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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PubMed
n/an/a 7.80E+3n/an/an/an/a7.521



AstraZeneca



Assay Description
Enzyme assay using lactate dehydrogenase A (LDHA).


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


(Homo sapiens (human))
BDBM50441117
PNG
(CHEMBL2430735)
Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1Cl)C(O)=O)c1ccccc1
Show InChI InChI=1S/C19H17ClN4O2/c1-11(12-5-3-2-4-6-12)23-18-17(21)22-10-16(24-18)14-9-13(19(25)26)7-8-15(14)20/h2-11H,1H3,(H2,21,22)(H,23,24)(H,25,26)/t11-/m1/s1
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PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in Escherichia coli using pyruvate as substrate assessed as dis...


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


(Plasmodium falciparum)
BDBM23228
PNG
(Oxamic acid derivative, 6 | [(2-cyano-4-{2-[(5-hyd...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(c4)C#N)cc3o2)cc1
Show InChI InChI=1S/C29H23N3O9/c1-39-19-5-2-17(3-6-19)15-31-27(35)25-13-23(34)26-22(33)11-20(12-24(26)41-25)40-9-8-16-4-7-21(18(10-16)14-30)32-28(36)29(37)38/h2-7,10-13,33H,8-9,15H2,1H3,(H,31,35)(H,32,36)(H,37,38)
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PubMed
n/an/a 8.25E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


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


(Homo sapiens (human))
BDBM86114
PNG
(LDHA Inhibitor, 8)
Show SMILES NC(=O)C1=CN(CCC1)[C@@H]1OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h4,7-8,10-11,13-16,20-21,29-32H,1-3,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10?,11-,13-,14-,15-,16-,20-,21-/m1/s1
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n/an/a 9.40E+3n/an/an/an/a7.521



AstraZeneca



Assay Description
Enzyme assay using lactate dehydrogenase A (LDHA).


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


(Bos taurus (bovine))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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Article
PubMed
n/an/a 9.54E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...


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


(Homo sapiens (human))
BDBM50052403
PNG
(CHEMBL3318479)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1cccc(Cl)c1
Show InChI InChI=1/C19H14ClNO2S/c20-15-6-3-5-12(8-15)14-9-16(22)19(17(23)10-14)24-18-7-2-1-4-13(18)11-21/h1-8,14,22H,9-10H2
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50052331
PNG
(CHEMBL3318476)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(Br)c1Cl
Show InChI InChI=1/C18H12BrCl3O2S/c19-10-5-6-12(21)16(17(10)22)9-7-13(23)18(14(24)8-9)25-15-4-2-1-3-11(15)20/h1-6,9,23H,7-8H2
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
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