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PubMed code 25037916

Compile data set for download or QSAR
Found 185 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052322
PNG
(CHEMBL3318535)
Show SMILES OC1=C(Sc2nc3ccccc3o2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052304
PNG
(CHEMBL3318529)
Show SMILES Cc1cc(C)nc(SC2=C(O)CC(CC2=O)c2ccccc2)n1
Show InChI InChI=1S/C18H18N2O2S/c1-11-8-12(2)20-18(19-11)23-17-15(21)9-14(10-16(17)22)13-6-4-3-5-7-13/h3-8,14,21H,9-10H2,1-2H3
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n/an/a 500n/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052292
PNG
(CHEMBL3318524)
Show SMILES Cc1nnc(SC2=C(O)CC(CC2=O)c2ccccc2)s1
Show InChI InChI=1S/C15H14N2O2S2/c1-9-16-17-15(20-9)21-14-12(18)7-11(8-13(14)19)10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3
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n/an/a 580n/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052325
PNG
(CHEMBL3318536)
Show SMILES OC1=C(Sc2nc3ccc(Cl)cc3[nH]2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15ClN2O2S/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,8-9H2,(H,21,22)
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n/an/a 640n/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052319
PNG
(CHEMBL3318534)
Show SMILES OC1=C(Sc2nc3ccccc3s2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15NO2S2/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 830n/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052290
PNG
(CHEMBL3318522)
Show SMILES OC1=C(Sc2ncc[nH]2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C15H14N2O2S/c18-12-8-11(10-4-2-1-3-5-10)9-13(19)14(12)20-15-16-6-7-17-15/h1-7,11,18H,8-9H2,(H,16,17)
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n/an/a 870n/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052248
PNG
(5-hydroxy-4-((2-nitrophenyl)thio)-1,6-dihydro-[1,1...)
Show SMILES OC1=C(Sc2ccccc2[N+]([O-])=O)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c20-15-10-13(12-6-2-1-3-7-12)11-16(21)18(15)24-17-9-5-4-8-14(17)19(22)23/h1-9,13,20H,10-11H2
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n/an/a 880n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052297
PNG
(CHEMBL3318525)
Show SMILES Nc1nnc(SC2=C(O)CC(CC2=O)c2ccccc2)s1
Show InChI InChI=1S/C14H13N3O2S2/c15-13-16-17-14(21-13)20-12-10(18)6-9(7-11(12)19)8-4-2-1-3-5-8/h1-5,9,18H,6-7H2,(H2,15,16)
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n/an/a 1.00E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052249
PNG
(CHEMBL3318423)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15NO2S/c20-12-14-8-4-5-9-18(14)23-19-16(21)10-15(11-17(19)22)13-6-2-1-3-7-13/h1-9,15,21H,10-11H2
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n/an/a 1.60E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052248
PNG
(5-hydroxy-4-((2-nitrophenyl)thio)-1,6-dihydro-[1,1...)
Show SMILES OC1=C(Sc2ccccc2[N+]([O-])=O)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c20-15-10-13(12-6-2-1-3-7-12)11-16(21)18(15)24-17-9-5-4-8-14(17)19(22)23/h1-9,13,20H,10-11H2
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n/an/a 1.70E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052326
PNG
(CHEMBL3318537)
Show SMILES Cc1ccc2nc(SC3=C(O)CC(CC3=O)c3ccccc3)[nH]c2c1
Show InChI InChI=1S/C20H18N2O2S/c1-12-7-8-15-16(9-12)22-20(21-15)25-19-17(23)10-14(11-18(19)24)13-5-3-2-4-6-13/h2-9,14,23H,10-11H2,1H3,(H,21,22)
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n/an/a 2.10E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052301
PNG
(CHEMBL3318528)
Show SMILES Cc1ccnc(SC2=C(O)CC(CC2=O)c2ccccc2)n1
Show InChI InChI=1S/C17H16N2O2S/c1-11-7-8-18-17(19-11)22-16-14(20)9-13(10-15(16)21)12-5-3-2-4-6-12/h2-8,13,20H,9-10H2,1H3
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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 LDHA by UV endpoint assay


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052306
PNG
(CHEMBL3318531)
Show SMILES CCOC(=O)c1cnc(SC2=C(O)CC(CC2=O)c2ccccc2)nc1N
Show InChI InChI=1S/C19H19N3O4S/c1-2-26-18(25)13-10-21-19(22-17(13)20)27-16-14(23)8-12(9-15(16)24)11-6-4-3-5-7-11/h3-7,10,12,23H,2,8-9H2,1H3,(H2,20,21,22)
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n/an/a 3.10E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052291
PNG
(CHEMBL3318523)
Show SMILES OC1=C(Sc2nncs2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C14H12N2O2S2/c17-11-6-10(9-4-2-1-3-5-9)7-12(18)13(11)20-14-16-15-8-19-14/h1-5,8,10,17H,6-7H2
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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 LDHA by UV endpoint assay


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040030
PNG
(4-((2-chlorophenyl)thio)-5-hydroxy-1,6-dihydro-[1,...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15ClO2S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
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n/an/a 4.60E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50040030
PNG
(4-((2-chlorophenyl)thio)-5-hydroxy-1,6-dihydro-[1,...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15ClO2S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50052249
PNG
(CHEMBL3318423)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15NO2S/c20-12-14-8-4-5-9-18(14)23-19-16(21)10-15(11-17(19)22)13-6-2-1-3-7-13/h1-9,15,21H,10-11H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50040030
PNG
(4-((2-chlorophenyl)thio)-5-hydroxy-1,6-dihydro-[1,...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15ClO2S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50040030
PNG
(4-((2-chlorophenyl)thio)-5-hydroxy-1,6-dihydro-[1,...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15ClO2S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50052247
PNG
(CHEMBL3318482)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50052246
PNG
(CHEMBL3318481)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50052249
PNG
(CHEMBL3318423)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15NO2S/c20-12-14-8-4-5-9-18(14)23-19-16(21)10-15(11-17(19)22)13-6-2-1-3-7-13/h1-9,15,21H,10-11H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50052247
PNG
(CHEMBL3318482)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50052246
PNG
(CHEMBL3318481)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50052246
PNG
(CHEMBL3318481)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50052259
PNG
(CHEMBL3318472)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C19H13Cl2F3O2S/c20-12-5-1-2-7-16(12)27-18-14(25)8-10(9-15(18)26)17-11(19(22,23)24)4-3-6-13(17)21/h1-7,10,25H,8-9H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50052259
PNG
(CHEMBL3318472)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C19H13Cl2F3O2S/c20-12-5-1-2-7-16(12)27-18-14(25)8-10(9-15(18)26)17-11(19(22,23)24)4-3-6-13(17)21/h1-7,10,25H,8-9H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50052249
PNG
(CHEMBL3318423)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15NO2S/c20-12-14-8-4-5-9-18(14)23-19-16(21)10-15(11-17(19)22)13-6-2-1-3-7-13/h1-9,15,21H,10-11H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50040030
PNG
(4-((2-chlorophenyl)thio)-5-hydroxy-1,6-dihydro-[1,...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15ClO2S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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=1S/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>5.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50052247
PNG
(CHEMBL3318482)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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=1S/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>5.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50052259
PNG
(CHEMBL3318472)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C19H13Cl2F3O2S/c20-12-5-1-2-7-16(12)27-18-14(25)8-10(9-15(18)26)17-11(19(22,23)24)4-3-6-13(17)21/h1-7,10,25H,8-9H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50052247
PNG
(CHEMBL3318482)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50052246
PNG
(CHEMBL3318481)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50052249
PNG
(CHEMBL3318423)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15NO2S/c20-12-14-8-4-5-9-18(14)23-19-16(21)10-15(11-17(19)22)13-6-2-1-3-7-13/h1-9,15,21H,10-11H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50052259
PNG
(CHEMBL3318472)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C19H13Cl2F3O2S/c20-12-5-1-2-7-16(12)27-18-14(25)8-10(9-15(18)26)17-11(19(22,23)24)4-3-6-13(17)21/h1-7,10,25H,8-9H2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052284
PNG
(CHEMBL3318518)
Show SMILES Cc1cc(C)c(nc1SC1=C(O)CC(CC1=O)c1ccccc1)C#N
Show InChI InChI=1S/C20H18N2O2S/c1-12-8-13(2)20(22-16(12)11-21)25-19-17(23)9-15(10-18(19)24)14-6-4-3-5-7-14/h3-8,15,23H,9-10H2,1-2H3
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n/an/a 5.60E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052285
PNG
(CHEMBL3318519)
Show SMILES OC1=C(Sc2cccs2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C16H14O2S2/c17-13-9-12(11-5-2-1-3-6-11)10-14(18)16(13)20-15-7-4-8-19-15/h1-8,12,17H,9-10H2
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n/an/a 5.60E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052307
PNG
(CHEMBL3318532)
Show SMILES Nc1cc(N)nc(SC2=C(O)CC(CC2=O)c2ccccc2)n1
Show InChI InChI=1S/C16H16N4O2S/c17-13-8-14(18)20-16(19-13)23-15-11(21)6-10(7-12(15)22)9-4-2-1-3-5-9/h1-5,8,10,21H,6-7H2,(H4,17,18,19,20)
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n/an/a 6.80E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052299
PNG
(CHEMBL3318526)
Show SMILES CSc1nnc(SC2=C(O)CC(CC2=O)c2ccccc2)s1
Show InChI InChI=1S/C15H14N2O2S3/c1-20-14-16-17-15(22-14)21-13-11(18)7-10(8-12(13)19)9-5-3-2-4-6-9/h2-6,10,18H,7-8H2,1H3
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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 LDHA by UV endpoint assay


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50052404
PNG
(CHEMBL3318480)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClNO2S/c20-15-7-5-12(6-8-15)14-9-16(22)19(17(23)10-14)24-18-4-2-1-3-13(18)11-21/h1-8,14,22H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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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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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50052249
PNG
(CHEMBL3318423)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15NO2S/c20-12-14-8-4-5-9-18(14)23-19-16(21)10-15(11-17(19)22)13-6-2-1-3-7-13/h1-9,15,21H,10-11H2
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n/an/a 1.10E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052638
PNG
(CHEMBL3318457)
Show SMILES OC1=C(Sc2cc(Cl)ccc2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-6-7-14(20)17(10-13)23-18-15(21)8-12(9-16(18)22)11-4-2-1-3-5-11/h1-7,10,12,21H,8-9H2
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n/an/a 1.20E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50052248
PNG
(5-hydroxy-4-((2-nitrophenyl)thio)-1,6-dihydro-[1,1...)
Show SMILES OC1=C(Sc2ccccc2[N+]([O-])=O)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c20-15-10-13(12-6-2-1-3-7-12)11-16(21)18(15)24-17-9-5-4-8-14(17)19(22)23/h1-9,13,20H,10-11H2
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n/an/a 1.23E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50052250
PNG
(CHEMBL3318465)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1Cl
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-6-2-1-5-12(13)11-9-15(21)18(16(22)10-11)23-17-8-4-3-7-14(17)20/h1-8,11,21H,9-10H2
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n/an/a 1.30E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50052399
PNG
(CHEMBL3318474)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Br)cccc1Br
Show InChI InChI=1S/C18H13Br2ClO2S/c19-11-4-3-5-12(20)17(11)10-8-14(22)18(15(23)9-10)24-16-7-2-1-6-13(16)21/h1-7,10,22H,8-9H2
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n/an/a 1.50E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052305
PNG
(CHEMBL3318530)
Show SMILES Cc1cnc(SC2=C(O)CC(CC2=O)c2ccccc2)nc1O
Show InChI InChI=1S/C17H16N2O3S/c1-10-9-18-17(19-16(10)22)23-15-13(20)7-12(8-14(15)21)11-5-3-2-4-6-11/h2-6,9,12,20H,7-8H2,1H3,(H,18,19,22)
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n/an/a 1.50E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052313
PNG
(CHEMBL3318533)
Show SMILES OC1=C(Sc2nc(O)cc(n2)C(F)(F)F)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)13-8-14(25)22-16(21-13)26-15-11(23)6-10(7-12(15)24)9-4-2-1-3-5-9/h1-5,8,10,23H,6-7H2,(H,21,22,25)
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n/an/a 1.70E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052287
PNG
(CHEMBL3318520)
Show SMILES OC1=C(Sc2nccs2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C15H13NO2S2/c17-12-8-11(10-4-2-1-3-5-10)9-13(18)14(12)20-15-16-6-7-19-15/h1-7,11,17H,8-9H2
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n/an/a 1.80E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052288
PNG
(CHEMBL3318521)
Show SMILES Cc1csc(SC2=C(O)CC(CC2=O)c2ccccc2)n1
Show InChI InChI=1S/C16H15NO2S2/c1-10-9-20-16(17-10)21-15-13(18)7-12(8-14(15)19)11-5-3-2-4-6-11/h2-6,9,12,18H,7-8H2,1H3
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n/an/a 1.90E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50040030
PNG
(4-((2-chlorophenyl)thio)-5-hydroxy-1,6-dihydro-[1,...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15ClO2S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
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n/an/a 1.90E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052334
PNG
(CHEMBL3318460)
Show SMILES OC1=C(Sc2ccc(F)cc2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H14ClFO2S/c19-14-10-13(20)6-7-17(14)23-18-15(21)8-12(9-16(18)22)11-4-2-1-3-5-11/h1-7,10,12,21H,8-9H2
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n/an/a 2.40E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
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=1S/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 2.40E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50052251
PNG
(CHEMBL3318466)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-5-3-4-11(8-13)12-9-15(21)18(16(22)10-12)23-17-7-2-1-6-14(17)20/h1-8,12,21H,9-10H2
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n/an/a 2.70E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM23222
PNG
(Oxalamic acid | Oxamate | Oxamate, 3 | Oxamidic Ac...)
Show SMILES NC(=O)C(O)=O
Show InChI InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
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n/an/a 3.38E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052435
PNG
(CHEMBL3318420)
Show SMILES OCc1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C19H18O3S/c20-12-14-8-4-5-9-18(14)23-19-16(21)10-15(11-17(19)22)13-6-2-1-3-7-13/h1-9,15,20-21H,10-12H2
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n/an/a 3.60E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50052252
PNG
(CHEMBL3318467)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-7-5-11(6-8-13)12-9-15(21)18(16(22)10-12)23-17-4-2-1-3-14(17)20/h1-8,12,21H,9-10H2
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n/an/a 3.70E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50052259
PNG
(CHEMBL3318472)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C19H13Cl2F3O2S/c20-12-5-1-2-7-16(12)27-18-14(25)8-10(9-15(18)26)17-11(19(22,23)24)4-3-6-13(17)21/h1-7,10,25H,8-9H2
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n/an/a 5.00E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052430
PNG
(CHEMBL3318414)
Show SMILES OC1=C(Sc2ccccc2F)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15FO2S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
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n/an/a 5.30E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052431
PNG
(CHEMBL3318416)
Show SMILES OC1=C(Sc2ccccc2Br)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15BrO2S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
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n/an/a 5.30E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM23222
PNG
(Oxalamic acid | Oxamate | Oxamate, 3 | Oxamidic Ac...)
Show SMILES NC(=O)C(O)=O
Show InChI InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
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n/an/a 5.72E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052637
PNG
(CHEMBL3318456)
Show SMILES OC1=C(Sc2cccc(Cl)c2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-7-4-8-16(17(13)20)23-18-14(21)9-12(10-15(18)22)11-5-2-1-3-6-11/h1-8,12,21H,9-10H2
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n/an/a 6.30E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052381
PNG
(CHEMBL3318462)
Show SMILES Cc1ccc(C)c(SC2=C(O)CC(CC2=O)c2ccccc2)c1
Show InChI InChI=1S/C20H20O2S/c1-13-8-9-14(2)19(10-13)23-20-17(21)11-16(12-18(20)22)15-6-4-3-5-7-15/h3-10,16,21H,11-12H2,1-2H3
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n/an/a>6.40E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052433
PNG
(CHEMBL3318418)
Show SMILES OC1=C(Sc2ccccc2C(F)(F)F)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15F3O2S/c20-19(21,22)14-8-4-5-9-17(14)25-18-15(23)10-13(11-16(18)24)12-6-2-1-3-7-12/h1-9,13,23H,10-11H2
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n/an/a>6.60E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052253
PNG
(CHEMBL3318468)
Show SMILES COc1ccc(cc1)C1CC(O)=C(Sc2ccccc2Cl)C(=O)C1
Show InChI InChI=1S/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>1.00E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052406
PNG
(CHEMBL3318484)
Show SMILES Cc1cccc(C)c1C1CC(O)=C(Sc2ccccc2C#N)C(=O)C1
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052415
PNG
(CHEMBL3318502)
Show SMILES OC1=C(SC2CCCCC2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H22O2S/c19-16-11-14(13-7-3-1-4-8-13)12-17(20)18(16)21-15-9-5-2-6-10-15/h1,3-4,7-8,14-15,19H,2,5-6,9-12H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052491
PNG
(CHEMBL3318425)
Show SMILES COC(=O)c1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C20H18O4S/c1-24-20(23)15-9-5-6-10-18(15)25-19-16(21)11-14(12-17(19)22)13-7-3-2-4-8-13/h2-10,14,21H,11-12H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052492
PNG
(CHEMBL3318426)
Show SMILES NC(=O)c1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C19H17NO3S/c20-19(23)14-8-4-5-9-17(14)24-18-15(21)10-13(11-16(18)22)12-6-2-1-3-7-12/h1-9,13,21H,10-11H2,(H2,20,23)
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052500
PNG
(CHEMBL3318434)
Show SMILES OC1=C(Sc2cccc(OC(F)(F)F)c2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15F3O3S/c20-19(21,22)25-14-7-4-8-15(11-14)26-18-16(23)9-13(10-17(18)24)12-5-2-1-3-6-12/h1-8,11,13,23H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052550
PNG
(CHEMBL3318443)
Show SMILES OC1=C(Sc2ccc(cc2)C(F)(F)F)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15F3O2S/c20-19(21,22)14-6-8-15(9-7-14)25-18-16(23)10-13(11-17(18)24)12-4-2-1-3-5-12/h1-9,13,23H,10-11H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052578
PNG
(CHEMBL3318447)
Show SMILES CSc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H18O2S2/c1-22-15-7-9-16(10-8-15)23-19-17(20)11-14(12-18(19)21)13-5-3-2-4-6-13/h2-10,14,20H,11-12H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052581
PNG
(CHEMBL3318450)
Show SMILES OC1=C(Sc2ccc(Cl)c(Cl)c2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H14Cl2O2S/c19-14-7-6-13(10-15(14)20)23-18-16(21)8-12(9-17(18)22)11-4-2-1-3-5-11/h1-7,10,12,21H,8-9H2
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n/an/a>1.00E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052639
PNG
(CHEMBL3318458)
Show SMILES OC1=C(Sc2c(Cl)cccc2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-7-4-8-14(20)17(13)23-18-15(21)9-12(10-16(18)22)11-5-2-1-3-6-11/h1-8,12,21H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052266
PNG
(CHEMBL3318500)
Show SMILES Cc1cccc(CSC2=C(O)CC(CC2=O)c2ccccc2)c1
Show InChI InChI=1S/C20H20O2S/c1-14-6-5-7-15(10-14)13-23-20-18(21)11-17(12-19(20)22)16-8-3-2-4-9-16/h2-10,17,21H,11-13H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052335
PNG
(CHEMBL3318461)
Show SMILES Cc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)c(C)c1
Show InChI InChI=1S/C20H20O2S/c1-13-8-9-19(14(2)10-13)23-20-17(21)11-16(12-18(20)22)15-6-4-3-5-7-15/h3-10,16,21H,11-12H2,1-2H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052392
PNG
(CHEMBL3318464)
Show SMILES COc1ccc(OC)c(SC2=C(O)CC(CC2=O)c2ccccc2)c1
Show InChI InChI=1S/C20H20O4S/c1-23-15-8-9-18(24-2)19(12-15)25-20-16(21)10-14(11-17(20)22)13-6-4-3-5-7-13/h3-9,12,14,21H,10-11H2,1-2H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052250
PNG
(CHEMBL3318465)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1Cl
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-6-2-1-5-12(13)11-9-15(21)18(16(22)10-11)23-17-8-4-3-7-14(17)20/h1-8,11,21H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052331
PNG
(CHEMBL3318476)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(Br)c1Cl
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052402
PNG
(CHEMBL3318478)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1Cl
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052404
PNG
(CHEMBL3318480)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClNO2S/c20-15-7-5-12(6-8-15)14-9-16(22)19(17(23)10-14)24-18-4-2-1-3-13(18)11-21/h1-8,14,22H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(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=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052436
PNG
(CHEMBL3318421)
Show SMILES OC1=C(Sc2ccccc2O)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H16O3S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,19-20H,10-11H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052502
PNG
(CHEMBL3318436)
Show SMILES NC(=O)c1cccc(SC2=C(O)CC(CC2=O)c2ccccc2)c1
Show InChI InChI=1S/C19H17NO3S/c20-19(23)13-7-4-8-15(9-13)24-18-16(21)10-14(11-17(18)22)12-5-2-1-3-6-12/h1-9,14,21H,10-11H2,(H2,20,23)
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052579
PNG
(CHEMBL3318448)
Show SMILES Nc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H17NO2S/c19-14-6-8-15(9-7-14)22-18-16(20)10-13(11-17(18)21)12-4-2-1-3-5-12/h1-9,13,20H,10-11,19H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052272
PNG
(CHEMBL3318516)
Show SMILES OC1=C(Sc2ccc3ccccc3c2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C22H18O2S/c23-20-13-18(15-6-2-1-3-7-15)14-21(24)22(20)25-19-11-10-16-8-4-5-9-17(16)12-19/h1-12,18,23H,13-14H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052273
PNG
(CHEMBL3318517)
Show SMILES OC1=C(Sc2ccccn2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C17H15NO2S/c19-14-10-13(12-6-2-1-3-7-12)11-15(20)17(14)21-16-8-4-5-9-18-16/h1-9,13,19H,10-11H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052387
PNG
(CHEMBL3318463)
Show SMILES Cc1cccc(C)c1SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C20H20O2S/c1-13-7-6-8-14(2)19(13)23-20-17(21)11-16(12-18(20)22)15-9-4-3-5-10-15/h3-10,16,21H,11-12H2,1-2H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052251
PNG
(CHEMBL3318466)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-5-3-4-11(8-13)12-9-15(21)18(16(22)10-12)23-17-7-2-1-6-14(17)20/h1-8,12,21H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(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=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052407
PNG
(CHEMBL3318485)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Br)cccc1Br
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052426
PNG
(CHEMBL3318413)
Show SMILES OC1=C(Sc2ccccc2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H16O2S/c19-16-11-14(13-7-3-1-4-8-13)12-17(20)18(16)21-15-9-5-2-6-10-15/h1-10,14,19H,11-12H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052501
PNG
(CHEMBL3318435)
Show SMILES Nc1cccc(SC2=C(O)CC(CC2=O)c2ccccc2)c1
Show InChI InChI=1S/C18H17NO2S/c19-14-7-4-8-15(11-14)22-18-16(20)9-13(10-17(18)21)12-5-2-1-3-6-12/h1-8,11,13,20H,9-10,19H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052505
PNG
(CHEMBL3318439)
Show SMILES OC1=C(Sc2ccc(Cl)cc2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15ClO2S/c19-14-6-8-15(9-7-14)22-18-16(20)10-13(11-17(18)21)12-4-2-1-3-5-12/h1-9,13,20H,10-11H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052508
PNG
(CHEMBL3318442)
Show SMILES CCc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H20O2S/c1-2-14-8-10-17(11-9-14)23-20-18(21)12-16(13-19(20)22)15-6-4-3-5-7-15/h3-11,16,21H,2,12-13H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052580
PNG
(CHEMBL3318449)
Show SMILES CC(=O)Nc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H19NO3S/c1-13(22)21-16-7-9-17(10-8-16)25-20-18(23)11-15(12-19(20)24)14-5-3-2-4-6-14/h2-10,15,23H,11-12H2,1H3,(H,21,22)
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052585
PNG
(CHEMBL3318454)
Show SMILES Cc1cc(C)cc(SC2=C(O)CC(CC2=O)c2ccccc2)c1
Show InChI InChI=1S/C20H20O2S/c1-13-8-14(2)10-17(9-13)23-20-18(21)11-16(12-19(20)22)15-6-4-3-5-7-15/h3-10,16,21H,11-12H2,1-2H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052267
PNG
(CHEMBL3318501)
Show SMILES OC1=C(SCc2ccc(F)cc2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H17FO2S/c20-16-8-6-13(7-9-16)12-23-19-17(21)10-15(11-18(19)22)14-4-2-1-3-5-14/h1-9,15,21H,10-12H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052270
PNG
(CHEMBL3318514)
Show SMILES OC1=C(SCc2ccc(Cl)cc2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H16Cl2O2S/c20-15-7-6-13(16(21)10-15)11-24-19-17(22)8-14(9-18(19)23)12-4-2-1-3-5-12/h1-7,10,14,22H,8-9,11H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052260
PNG
(CHEMBL3318473)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(F)cccc1F
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052420
PNG
(CHEMBL3318505)
Show SMILES CCC(C)CSC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C17H22O2S/c1-3-12(2)11-20-17-15(18)9-14(10-16(17)19)13-7-5-4-6-8-13/h4-8,12,14,18H,3,9-11H2,1-2H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052493
PNG
(CHEMBL3318427)
Show SMILES CS(=O)(=O)c1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C19H18O4S2/c1-25(22,23)18-10-6-5-9-17(18)24-19-15(20)11-14(12-16(19)21)13-7-3-2-4-8-13/h2-10,14,20H,11-12H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052494
PNG
(CHEMBL3318428)
Show SMILES OC1=C(Sc2cccc(F)c2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15FO2S/c19-14-7-4-8-15(11-14)22-18-16(20)9-13(10-17(18)21)12-5-2-1-3-6-12/h1-8,11,13,20H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052503
PNG
(CHEMBL3318437)
Show SMILES NS(=O)(=O)c1cccc(SC2=C(O)CC(CC2=O)c2ccccc2)c1
Show InChI InChI=1S/C18H17NO4S2/c19-25(22,23)15-8-4-7-14(11-15)24-18-16(20)9-13(10-17(18)21)12-5-2-1-3-6-12/h1-8,11,13,20H,9-10H2,(H2,19,22,23)
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052584
PNG
(CHEMBL3318453)
Show SMILES OC1=C(Sc2cc(Cl)cc(Cl)c2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-8-14(20)10-15(9-13)23-18-16(21)6-12(7-17(18)22)11-4-2-1-3-5-11/h1-5,8-10,12,21H,6-7H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052587
PNG
(CHEMBL3318455)
Show SMILES OC1=C(Sc2cccc(Cl)c2F)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H14ClFO2S/c19-13-7-4-8-16(17(13)20)23-18-14(21)9-12(10-15(18)22)11-5-2-1-3-6-11/h1-8,12,21H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052264
PNG
(CHEMBL3318510)
Show SMILES Cc1ccccc1CSC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C20H20O2S/c1-14-7-5-6-10-16(14)13-23-20-18(21)11-17(12-19(20)22)15-8-3-2-4-9-15/h2-10,17,21H,11-13H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052268
PNG
(CHEMBL3318512)
Show SMILES Cc1ccc(CSC2=C(O)CC(CC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H20O2S/c1-14-7-9-15(10-8-14)13-23-20-18(21)11-17(12-19(20)22)16-5-3-2-4-6-16/h2-10,17,21H,11-13H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052400
PNG
(CHEMBL3318475)
Show SMILES Cc1cccc(C)c1C1CC(O)=C(Sc2ccccc2Cl)C(=O)C1
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052247
PNG
(CHEMBL3318482)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052434
PNG
(CHEMBL3318419)
Show SMILES CCc1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C20H20O2S/c1-2-14-8-6-7-11-19(14)23-20-17(21)12-16(13-18(20)22)15-9-4-3-5-10-15/h3-11,16,21H,2,12-13H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052497
PNG
(CHEMBL3318431)
Show SMILES Cc1cccc(SC2=C(O)CC(CC2=O)c2ccccc2)c1
Show InChI InChI=1S/C19H18O2S/c1-13-6-5-9-16(10-13)22-19-17(20)11-15(12-18(19)21)14-7-3-2-4-8-14/h2-10,15,20H,11-12H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052504
PNG
(CHEMBL3318438)
Show SMILES OC1=C(Sc2ccc(F)cc2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15FO2S/c19-14-6-8-15(9-7-14)22-18-16(20)10-13(11-17(18)21)12-4-2-1-3-5-12/h1-9,13,20H,10-11H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052506
PNG
(CHEMBL3318440)
Show SMILES OC1=C(Sc2ccc(Br)cc2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15BrO2S/c19-14-6-8-15(9-7-14)22-18-16(20)10-13(11-17(18)21)12-4-2-1-3-5-12/h1-9,13,20H,10-11H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052577
PNG
(CHEMBL3318446)
Show SMILES OC(=O)c1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H16O4S/c20-16-10-14(12-4-2-1-3-5-12)11-17(21)18(16)24-15-8-6-13(7-9-15)19(22)23/h1-9,14,20H,10-11H2,(H,22,23)
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052582
PNG
(CHEMBL3318451)
Show SMILES COc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1OC
Show InChI InChI=1S/C20H20O4S/c1-23-18-9-8-15(12-19(18)24-2)25-20-16(21)10-14(11-17(20)22)13-6-4-3-5-7-13/h3-9,12,14,21H,10-11H2,1-2H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052583
PNG
(CHEMBL3318452)
Show SMILES Cc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1C
Show InChI InChI=1S/C20H20O2S/c1-13-8-9-17(10-14(13)2)23-20-18(21)11-16(12-19(20)22)15-6-4-3-5-7-15/h3-10,16,21H,11-12H2,1-2H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052586
PNG
(CHEMBL3317461)
Show SMILES OC1=C(Sc2ccc(F)cc2F)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H14F2O2S/c19-13-6-7-17(14(20)10-13)23-18-15(21)8-12(9-16(18)22)11-4-2-1-3-5-11/h1-7,10,12,21H,8-9H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052332
PNG
(CHEMBL3318459)
Show SMILES Cc1cccc(Cl)c1SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C19H17ClO2S/c1-12-6-5-9-15(20)18(12)23-19-16(21)10-14(11-17(19)22)13-7-3-2-4-8-13/h2-9,14,21H,10-11H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(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=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052490
PNG
(CHEMBL3318424)
Show SMILES OC(=O)c1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C19H16O4S/c20-15-10-13(12-6-2-1-3-7-12)11-16(21)18(15)24-17-9-5-4-8-14(17)19(22)23/h1-9,13,20H,10-11H2,(H,22,23)
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052568
PNG
(CHEMBL3318444)
Show SMILES OC1=C(Sc2ccc(O)cc2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H16O3S/c19-14-6-8-15(9-7-14)22-18-16(20)10-13(11-17(18)21)12-4-2-1-3-5-12/h1-9,13,19-20H,10-11H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052576
PNG
(CHEMBL3318445)
Show SMILES COc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H18O3S/c1-22-15-7-9-16(10-8-15)23-19-17(20)11-14(12-18(19)21)13-5-3-2-4-6-13/h2-10,14,20H,11-12H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052261
PNG
(CHEMBL3318507)
Show SMILES COC(=O)CSC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C15H16O4S/c1-19-14(18)9-20-15-12(16)7-11(8-13(15)17)10-5-3-2-4-6-10/h2-6,11,16H,7-9H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052262
PNG
(CHEMBL3318508)
Show SMILES COC(=O)CCSC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C16H18O4S/c1-20-15(19)7-8-21-16-13(17)9-12(10-14(16)18)11-5-3-2-4-6-11/h2-6,12,17H,7-10H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052263
PNG
(CHEMBL3318509)
Show SMILES OC1=C(SCc2ccccc2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H18O2S/c20-17-11-16(15-9-5-2-6-10-15)12-18(21)19(17)22-13-14-7-3-1-4-8-14/h1-10,16,20H,11-13H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052258
PNG
(CHEMBL3318471)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Br
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052416
PNG
(CHEMBL3318503)
Show SMILES CC(C)C(C)SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C17H22O2S/c1-11(2)12(3)20-17-15(18)9-14(10-16(17)19)13-7-5-4-6-8-13/h4-8,11-12,14,18H,9-10H2,1-3H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052419
PNG
(CHEMBL3318504)
Show SMILES CC(C)SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C15H18O2S/c1-10(2)18-15-13(16)8-12(9-14(15)17)11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052421
PNG
(CHEMBL3318506)
Show SMILES OCCSC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C14H16O3S/c15-6-7-18-14-12(16)8-11(9-13(14)17)10-4-2-1-3-5-10/h1-5,11,15-16H,6-9H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052495
PNG
(CHEMBL3318429)
Show SMILES OC1=C(Sc2cccc(Cl)c2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15ClO2S/c19-14-7-4-8-15(11-14)22-18-16(20)9-13(10-17(18)21)12-5-2-1-3-6-12/h1-8,11,13,20H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052496
PNG
(CHEMBL3318430)
Show SMILES OC1=C(Sc2cccc(Br)c2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15BrO2S/c19-14-7-4-8-15(11-14)22-18-16(20)9-13(10-17(18)21)12-5-2-1-3-6-12/h1-8,11,13,20H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(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=1S/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged MDH-1


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052271
PNG
(CHEMBL3318515)
Show SMILES OC1=C(Sc2cccc3ccccc23)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C22H18O2S/c23-19-13-17(15-7-2-1-3-8-15)14-20(24)22(19)25-21-12-6-10-16-9-4-5-11-18(16)21/h1-12,17,23H,13-14H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052252
PNG
(CHEMBL3318467)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-7-5-11(6-8-13)12-9-15(21)18(16(22)10-12)23-17-4-2-1-3-14(17)20/h1-8,12,21H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052257
PNG
(CHEMBL3318470)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(F)cccc1Cl
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052259
PNG
(CHEMBL3318472)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C19H13Cl2F3O2S/c20-12-5-1-2-7-16(12)27-18-14(25)8-10(9-15(18)26)17-11(19(22,23)24)4-3-6-13(17)21/h1-7,10,25H,8-9H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052399
PNG
(CHEMBL3318474)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Br)cccc1Br
Show InChI InChI=1S/C18H13Br2ClO2S/c19-11-4-3-5-12(20)17(11)10-8-14(22)18(15(23)9-10)24-16-7-2-1-6-13(16)21/h1-7,10,22H,8-9H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052403
PNG
(CHEMBL3318479)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1cccc(Cl)c1
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052246
PNG
(CHEMBL3318481)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/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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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052432
PNG
(CHEMBL3318417)
Show SMILES Cc1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C19H18O2S/c1-13-7-5-6-10-18(13)22-19-16(20)11-15(12-17(19)21)14-8-3-2-4-9-14/h2-10,15,20H,11-12H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052489
PNG
(CHEMBL3318422)
Show SMILES COc1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1
Show InChI InChI=1S/C19H18O3S/c1-22-17-9-5-6-10-18(17)23-19-15(20)11-14(12-16(19)21)13-7-3-2-4-8-13/h2-10,14,20H,11-12H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052498
PNG
(CHEMBL3318432)
Show SMILES OC1=C(Sc2cccc(c2)C(F)(F)F)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15F3O2S/c20-19(21,22)14-7-4-8-15(11-14)25-18-16(23)9-13(10-17(18)24)12-5-2-1-3-6-12/h1-8,11,13,23H,9-10H2
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052499
PNG
(CHEMBL3318433)
Show SMILES COc1cccc(SC2=C(O)CC(CC2=O)c2ccccc2)c1
Show InChI InChI=1S/C19H18O3S/c1-22-15-8-5-9-16(12-15)23-19-17(20)10-14(11-18(19)21)13-6-3-2-4-7-13/h2-9,12,14,20H,10-11H2,1H3
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Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052507
PNG
(CHEMBL3318441)
Show SMILES Cc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H18O2S/c1-13-7-9-16(10-8-13)22-19-17(20)11-15(12-18(19)21)14-5-3-2-4-6-14/h2-10,15,20H,11-12H2,1H3
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n/an/a>1.00E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(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=1S/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>1.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged MDH-2


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052265
PNG
(CHEMBL3318511)
Show SMILES OC1=C(SCc2cccc(c2)C(F)(F)F)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C20H17F3O2S/c21-20(22,23)16-8-4-5-13(9-16)12-26-19-17(24)10-15(11-18(19)25)14-6-2-1-3-7-14/h1-9,15,24H,10-12H2
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n/an/a>1.00E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052269
PNG
(CHEMBL3318513)
Show SMILES COc1ccc(CSC2=C(O)CC(CC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H20O3S/c1-23-17-9-7-14(8-10-17)13-24-20-18(21)11-16(12-19(20)22)15-5-3-2-4-6-15/h2-10,16,21H,11-13H2,1H3
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n/an/a>1.00E+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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052250
PNG
(CHEMBL3318465)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1Cl
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-6-2-1-5-12(13)11-9-15(21)18(16(22)10-11)23-17-8-4-3-7-14(17)20/h1-8,11,21H,9-10H2
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n/an/an/a 8.20E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052246
PNG
(CHEMBL3318481)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/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/an/a 430n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052251
PNG
(CHEMBL3318466)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-5-3-4-11(8-13)12-9-15(21)18(16(22)10-12)23-17-7-2-1-6-14(17)20/h1-8,12,21H,9-10H2
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n/an/an/a 7.10E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052259
PNG
(CHEMBL3318472)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C19H13Cl2F3O2S/c20-12-5-1-2-7-16(12)27-18-14(25)8-10(9-15(18)26)17-11(19(22,23)24)4-3-6-13(17)21/h1-7,10,25H,8-9H2
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n/an/an/a 500n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052258
PNG
(CHEMBL3318471)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Br
Show InChI InChI=1S/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/an/a 490n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052249
PNG
(CHEMBL3318423)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C19H15NO2S/c20-12-14-8-4-5-9-18(14)23-19-16(21)10-15(11-17(19)22)13-6-2-1-3-7-13/h1-9,15,21H,10-11H2
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n/an/an/a 1.50E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040030
PNG
(4-((2-chlorophenyl)thio)-5-hydroxy-1,6-dihydro-[1,...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15ClO2S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
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n/an/an/a 4.30E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052253
PNG
(CHEMBL3318468)
Show SMILES COc1ccc(cc1)C1CC(O)=C(Sc2ccccc2Cl)C(=O)C1
Show InChI InChI=1S/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/an/a 1.30E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052248
PNG
(5-hydroxy-4-((2-nitrophenyl)thio)-1,6-dihydro-[1,1...)
Show SMILES OC1=C(Sc2ccccc2[N+]([O-])=O)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c20-15-10-13(12-6-2-1-3-7-12)11-16(21)18(15)24-17-9-5-4-8-14(17)19(22)23/h1-9,13,20H,10-11H2
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n/an/an/a 3.50E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay in presence of +NADH


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(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=1S/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/an/a 1.80E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052331
PNG
(CHEMBL3318476)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(Br)c1Cl
Show InChI InChI=1S/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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n/an/an/a 370n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052252
PNG
(CHEMBL3318467)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2O2S/c19-13-7-5-11(6-8-13)12-9-15(21)18(16(22)10-12)23-17-4-2-1-3-14(17)20/h1-8,12,21H,9-10H2
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n/an/an/a 2.70E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052247
PNG
(CHEMBL3318482)
Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br
Show InChI InChI=1S/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/an/a 240n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052248
PNG
(5-hydroxy-4-((2-nitrophenyl)thio)-1,6-dihydro-[1,1...)
Show SMILES OC1=C(Sc2ccccc2[N+]([O-])=O)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c20-15-10-13(12-6-2-1-3-7-12)11-16(21)18(15)24-17-9-5-4-8-14(17)19(22)23/h1-9,13,20H,10-11H2
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n/an/an/a 7.71E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%