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17 similar compounds to monomer 50433843

Compile data set for download or QSAR
Wt: 410.8
BDBM11287
Purchase
Wt: 424.9
BDBM50433830
Purchase
Wt: 410.8
BDBM50433832
Purchase
Wt: 438.9
BDBM50433833
Purchase
Wt: 431.2
BDBM50433834
Purchase
Wt: 489.9
BDBM50433835
Wt: 475.9
BDBM50433836
Purchase
Wt: 430.5
BDBM50433838
Purchase
Wt: 499.5
BDBM50433839
Purchase
Wt: 503.9
BDBM50433840
Wt: 507.9
BDBM50433841
Wt: 524.4
BDBM50433842
Wt: 441.4
BDBM50433845
Wt: 424.9
BDBM50433846
Purchase
Wt: 445.3
BDBM50433848
Purchase
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 59 hits for monomerid = 11287,50433830,50433832,50433833,50433834,50433835,50433836,50433838,50433839,50433840,50433841,50433842,50433845,50433846,50433848   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50433842
PNG
(CHEMBL2382402)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15Cl2N5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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5.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50433841
PNG
(CHEMBL2382403)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15ClFN5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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6.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50433839
PNG
(CHEMBL2382405)
Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-7-9-16(10-8-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-5-4-6-15(11-13)32-2/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)
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6.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50433836
PNG
(CHEMBL2382337)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H14ClN5O4S2/c20-12-3-1-11(2-4-12)17-15(9-21)18(27)25-19(24-17)30-10-16(26)23-13-5-7-14(8-6-13)31(22,28)29/h1-8H,10H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
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7.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50433842
PNG
(CHEMBL2382402)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15Cl2N5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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7.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50433836
PNG
(CHEMBL2382337)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H14ClN5O4S2/c20-12-3-1-11(2-4-12)17-15(9-21)18(27)25-19(24-17)30-10-16(26)23-13-5-7-14(8-6-13)31(22,28)29/h1-8H,10H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
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8.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50433836
PNG
(CHEMBL2382337)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H14ClN5O4S2/c20-12-3-1-11(2-4-12)17-15(9-21)18(27)25-19(24-17)30-10-16(26)23-13-5-7-14(8-6-13)31(22,28)29/h1-8H,10H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
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8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide...


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50433841
PNG
(CHEMBL2382403)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15ClFN5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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9.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide...


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide...


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50433841
PNG
(CHEMBL2382403)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15ClFN5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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34n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50433841
PNG
(CHEMBL2382403)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15ClFN5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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37n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide...


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50433842
PNG
(CHEMBL2382402)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15Cl2N5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50433836
PNG
(CHEMBL2382337)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H14ClN5O4S2/c20-12-3-1-11(2-4-12)17-15(9-21)18(27)25-19(24-17)30-10-16(26)23-13-5-7-14(8-6-13)31(22,28)29/h1-8H,10H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
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59n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay


Bioorg Med Chem 24: 3643-8 (2016)


Article DOI: 10.1016/j.bmc.2016.06.005
BindingDB Entry DOI: 10.7270/Q27S7QQG
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433830
PNG
(CHEMBL2382392)
Show SMILES CCc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C21H17ClN4O2S/c1-2-13-5-3-4-6-17(13)24-18(27)12-29-21-25-19(16(11-23)20(28)26-21)14-7-9-15(22)10-8-14/h3-10H,2,12H2,1H3,(H,24,27)(H,25,26,28)
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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 (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433832
PNG
(CHEMBL2382390)
Show SMILES Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C20H15ClN4O2S/c1-12-4-2-3-5-16(12)23-17(26)11-28-20-24-18(15(10-22)19(27)25-20)13-6-8-14(21)9-7-13/h2-9H,11H2,1H3,(H,23,26)(H,24,25,27)
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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 (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433833
PNG
(CHEMBL2382389)
Show SMILES CC(C)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H19ClN4O2S/c1-13(2)14-5-9-17(10-6-14)25-19(28)12-30-22-26-20(18(11-24)21(29)27-22)15-3-7-16(23)8-4-15/h3-10,13H,12H2,1-2H3,(H,25,28)(H,26,27,29)
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n/an/a 2.26E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433834
PNG
(CHEMBL2382339)
Show SMILES Clc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H12Cl2N4O2S/c20-12-3-1-11(2-4-12)17-15(9-22)18(27)25-19(24-17)28-10-16(26)23-14-7-5-13(21)6-8-14/h1-8H,10H2,(H,23,26)(H,24,25,27)
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n/an/a 5.57E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433835
PNG
(CHEMBL2382338)
Show SMILES CNS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C20H16ClN5O4S2/c1-23-32(29,30)15-8-6-14(7-9-15)24-17(27)11-31-20-25-18(16(10-22)19(28)26-20)12-2-4-13(21)5-3-12/h2-9,23H,11H2,1H3,(H,24,27)(H,25,26,28)
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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 (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433836
PNG
(CHEMBL2382337)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H14ClN5O4S2/c20-12-3-1-11(2-4-12)17-15(9-21)18(27)25-19(24-17)30-10-16(26)23-13-5-7-14(8-6-13)31(22,28)29/h1-8H,10H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
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n/an/a 8.80E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50433836
PNG
(CHEMBL2382337)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H14ClN5O4S2/c20-12-3-1-11(2-4-12)17-15(9-21)18(27)25-19(24-17)30-10-16(26)23-13-5-7-14(8-6-13)31(22,28)29/h1-8H,10H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
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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 MDH-2 (20 to 338) expressed in Escherichia coli using oxaloacetic acid as substrate after...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Homo sapiens (Human))
BDBM50433836
PNG
(CHEMBL2382337)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H14ClN5O4S2/c20-12-3-1-11(2-4-12)17-15(9-21)18(27)25-19(24-17)30-10-16(26)23-13-5-7-14(8-6-13)31(22,28)29/h1-8H,10H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
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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 MDH-1 (3 to 334) expressed in Escherichia coli using oxaloacetic acid as substrate after ...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


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



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


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



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


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



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


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



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50433845
PNG
(CHEMBL2382400)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H15N5O4S2/c20-10-15-17(12-4-2-1-3-5-12)23-19(24-18(15)26)29-11-16(25)22-13-6-8-14(9-7-13)30(21,27)28/h1-9H,11H2,(H,22,25)(H2,21,27,28)(H,23,24,26)
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n/an/a 4.28E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50433846
PNG
(CHEMBL2382399)
Show SMILES Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1C
Show InChI InChI=1S/C21H17ClN4O2S/c1-12-3-8-16(9-13(12)2)24-18(27)11-29-21-25-19(17(10-23)20(28)26-21)14-4-6-15(22)7-5-14/h3-9H,11H2,1-2H3,(H,24,27)(H,25,26,28)
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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 LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50433848
PNG
(CHEMBL2382397)
Show SMILES Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4O2S/c1-11-2-7-14(8-16(11)22)24-17(27)10-29-20-25-18(15(9-23)19(28)26-20)12-3-5-13(21)6-4-12/h2-8H,10H2,1H3,(H,24,27)(H,25,26,28)
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n/an/a 9.30E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50433833
PNG
(CHEMBL2382389)
Show SMILES CC(C)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H19ClN4O2S/c1-13(2)14-5-9-17(10-6-14)25-19(28)12-30-22-26-20(18(11-24)21(29)27-22)15-3-7-16(23)8-4-15/h3-10,13H,12H2,1-2H3,(H,25,28)(H,26,27,29)
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n/an/a 9.80E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50433834
PNG
(CHEMBL2382339)
Show SMILES Clc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H12Cl2N4O2S/c20-12-3-1-11(2-4-12)17-15(9-22)18(27)25-19(24-17)28-10-16(26)23-14-7-5-13(21)6-8-14/h1-8H,10H2,(H,23,26)(H,24,25,27)
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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 LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50433835
PNG
(CHEMBL2382338)
Show SMILES CNS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C20H16ClN5O4S2/c1-23-32(29,30)15-8-6-14(7-9-15)24-17(27)11-31-20-25-18(16(10-22)19(28)26-20)12-2-4-13(21)5-3-12/h2-9,23H,11H2,1H3,(H,24,27)(H,25,26,28)
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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 LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50433836
PNG
(CHEMBL2382337)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H14ClN5O4S2/c20-12-3-1-11(2-4-12)17-15(9-21)18(27)25-19(24-17)30-10-16(26)23-13-5-7-14(8-6-13)31(22,28)29/h1-8H,10H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433836
PNG
(CHEMBL2382337)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H14ClN5O4S2/c20-12-3-1-11(2-4-12)17-15(9-21)18(27)25-19(24-17)30-10-16(26)23-13-5-7-14(8-6-13)31(22,28)29/h1-8H,10H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
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n/an/an/a 3.84E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433839
PNG
(CHEMBL2382405)
Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-7-9-16(10-8-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-5-4-6-15(11-13)32-2/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)
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n/an/an/a 8.90E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433840
PNG
(CHEMBL2382404)
Show SMILES CCC(Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H18ClN5O4S2/c1-2-17(20(29)25-14-7-9-15(10-8-14)33(24,30)31)32-21-26-18(16(11-23)19(28)27-21)12-3-5-13(22)6-4-12/h3-10,17H,2H2,1H3,(H,25,29)(H2,24,30,31)(H,26,27,28)
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n/an/an/a 3.00E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433841
PNG
(CHEMBL2382403)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15ClFN5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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n/an/an/a 2.90E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433842
PNG
(CHEMBL2382402)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15Cl2N5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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n/an/an/a 5.10E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433845
PNG
(CHEMBL2382400)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H15N5O4S2/c20-10-15-17(12-4-2-1-3-5-12)23-19(24-18(15)26)29-11-16(25)22-13-6-8-14(9-7-13)30(21,27)28/h1-9H,11H2,(H,22,25)(H2,21,27,28)(H,23,24,26)
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n/an/an/a 1.54E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433846
PNG
(CHEMBL2382399)
Show SMILES Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1C
Show InChI InChI=1S/C21H17ClN4O2S/c1-12-3-8-16(9-13(12)2)24-18(27)11-29-21-25-19(17(10-23)20(28)26-21)14-4-6-15(22)7-5-14/h3-9H,11H2,1-2H3,(H,24,27)(H,25,26,28)
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n/an/an/a 5.52E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433848
PNG
(CHEMBL2382397)
Show SMILES Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4O2S/c1-11-2-7-14(8-16(11)22)24-17(27)10-29-20-25-18(15(9-23)19(28)26-20)12-3-5-13(21)6-4-12/h2-8H,10H2,1H3,(H,24,27)(H,25,26,28)
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n/an/a 2.76E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433846
PNG
(CHEMBL2382399)
Show SMILES Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1C
Show InChI InChI=1S/C21H17ClN4O2S/c1-12-3-8-16(9-13(12)2)24-18(27)11-29-21-25-19(17(10-23)20(28)26-21)14-4-6-15(22)7-5-14/h3-9H,11H2,1-2H3,(H,24,27)(H,25,26,28)
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n/an/a 3.86E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433848
PNG
(CHEMBL2382397)
Show SMILES Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4O2S/c1-11-2-7-14(8-16(11)22)24-17(27)10-29-20-25-18(15(9-23)19(28)26-20)12-3-5-13(21)6-4-12/h2-8H,10H2,1H3,(H,24,27)(H,25,26,28)
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n/an/an/a 4.66E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433842
PNG
(CHEMBL2382402)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15Cl2N5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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n/an/a 750n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433841
PNG
(CHEMBL2382403)
Show SMILES CC(Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H15ClFN5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)
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n/an/a 710n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433840
PNG
(CHEMBL2382404)
Show SMILES CCC(Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H18ClN5O4S2/c1-2-17(20(29)25-14-7-9-15(10-8-14)33(24,30)31)32-21-26-18(16(11-23)19(28)27-21)12-3-5-13(22)6-4-12/h3-10,17H,2H2,1H3,(H,25,29)(H2,24,30,31)(H,26,27,28)
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n/an/a 650n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433839
PNG
(CHEMBL2382405)
Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-7-9-16(10-8-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-5-4-6-15(11-13)32-2/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50433838
PNG
(CHEMBL2382406)
Show SMILES CC(Sc1nc(cc(=O)[nH]1)-c1ccccc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H18N4O4S2/c1-12(18(25)21-14-7-9-15(10-8-14)29(20,26)27)28-19-22-16(11-17(24)23-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,25)(H2,20,26,27)(H,22,23,24)
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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 (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
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