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PubMed code 33771585

Compile data set for download or QSAR
Found 106 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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489090
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- ((tetrah...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CCCO3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H28F2N4O6S2/c30-21-7-6-18(13-25(21)41-14-19-2-1-9-40-19)27-20(10-17-5-8-26(22(31)11-17)43(32,38)39)24(12-16-3-4-16)35(34-27)29-33-23(15-42-29)28(36)37/h5-8,11,13,15-16,19H,1-4,9-10,12,14H2,(H,36,37)(H2,32,38,39)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537077
PNG
(US11247971, Cmpd ID 400)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CC3(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489091
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- ((tetrah...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CCOC3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H28F2N4O6S2/c30-21-5-4-19(12-25(21)41-14-18-7-8-40-13-18)27-20(9-17-3-6-26(22(31)10-17)43(32,38)39)24(11-16-1-2-16)35(34-27)29-33-23(15-42-29)28(36)37/h3-6,10,12,15-16,18H,1-2,7-9,11,13-14H2,(H,36,37)(H2,32,38,39)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489160
PNG
(2-(3-(3-(tert- butylcarbamoyl)-4- fluorophenyl)-5-...)
Show SMILES CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
Show InChI InChI=1S/C29H29F2N5O5S2/c1-29(2,3)34-26(37)18-13-17(7-8-20(18)30)25-19(10-16-6-9-24(21(31)11-16)43(32,40)41)23(12-15-4-5-15)36(35-25)28-33-22(14-42-28)27(38)39/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,34,37)(H,38,39)(H2,32,40,41)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569440
PNG
(CHEMBL4877988 | US11752138, Compound 152)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(NC(=O)c3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489092
PNG
(2-(3-(3- cydopropoxy-4- fluorophenyl)-5- (cyclopro...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OC3CC3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C27H24F2N4O5S2/c28-19-7-4-16(12-23(19)38-17-5-6-17)25-18(9-15-3-8-24(20(29)10-15)40(30,36)37)22(11-14-1-2-14)33(32-25)27-31-21(13-39-27)26(34)35/h3-4,7-8,10,12-14,17H,1-2,5-6,9,11H2,(H,34,35)(H2,30,36,37)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489161
PNG
(2-(3-(3- (benzylcarbamoyl)-4- fluorophenyl)-5- (cy...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)NCc2ccccc2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C32H27F2N5O5S2/c33-24-10-9-21(15-22(24)30(40)36-16-19-4-2-1-3-5-19)29-23(12-20-8-11-28(25(34)13-20)46(35,43)44)27(14-18-6-7-18)39(38-29)32-37-26(17-45-32)31(41)42/h1-5,8-11,13,15,17-18H,6-7,12,14,16H2,(H,36,40)(H,41,42)(H2,35,43,44)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM536955
PNG
(US11247971, Cmpd ID 278)
Show SMILES COc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537013
PNG
(US11247971, Cmpd ID 336)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OC3CCCC3)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537072
PNG
(US11247971, Cmpd ID 395)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCC(F)(F)C2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537071
PNG
(US11247971, Cmpd ID 394)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCC(F)(F)CC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489085
PNG
(2-(3-(3- phenoxyphenyl)-4-(4- sulfamoylbenzyl)- 1H...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(Oc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H20N4O5S2/c27-37(33,34)22-11-9-17(10-12-22)13-19-15-30(26-28-23(16-36-26)25(31)32)29-24(19)18-5-4-8-21(14-18)35-20-6-2-1-3-7-20/h1-12,14-16H,13H2,(H,31,32)(H2,27,33,34)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537074
PNG
(US11247971, Cmpd ID 397)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCCC(F)(F)C2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537017
PNG
(US11247971, Cmpd ID 340)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OCc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489083
PNG
(2-(3-(3-((3- methoxybenzyl)oxy)phenyl)- 4-(4- sulf...)
Show SMILES COc1cccc(COc2cccc(c2)-c2nn(cc2Cc2ccc(cc2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)c1
Show InChI InChI=1S/C28H24N4O6S2/c1-37-22-6-2-4-19(13-22)16-38-23-7-3-5-20(14-23)26-21(12-18-8-10-24(11-9-18)40(29,35)36)15-32(31-26)28-30-25(17-39-28)27(33)34/h2-11,13-15,17H,12,16H2,1H3,(H,33,34)(H2,29,35,36)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489147
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569441
PNG
(CHEMBL4875236)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)N2CCOCC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489093
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((5- (tri...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3ccc(o3)C(F)(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C30H23F5N4O6S2/c31-20-6-4-17(12-24(20)44-13-18-5-8-26(45-18)30(33,34)35)27-19(9-16-3-7-25(21(32)10-16)47(36,42)43)23(11-15-1-2-15)39(38-27)29-37-22(14-46-29)28(40)41/h3-8,10,12,14-15H,1-2,9,11,13H2,(H,40,41)(H2,36,42,43)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489086
PNG
(2-(3-(3-(pyridin-3- ylmethoxy)phenyl)-4- (4-sulfam...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(OCc3ccccn3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H21N5O5S2/c27-38(34,35)22-9-7-17(8-10-22)12-19-14-31(26-29-23(16-37-26)25(32)33)30-24(19)18-4-3-6-21(13-18)36-15-20-5-1-2-11-28-20/h1-11,13-14,16H,12,15H2,(H,32,33)(H2,27,34,35)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569434
PNG
(CHEMBL4854797)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489129
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(p- tolyl...)
Show SMILES Cc1ccc(Oc2cc(ccc2F)-c2nn(c(CC3CC3)c2Cc2ccc(c(F)c2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C31H26F2N4O5S2/c1-17-2-8-21(9-3-17)42-27-15-20(7-10-23(27)32)29-22(12-19-6-11-28(24(33)13-19)44(34,40)41)26(14-18-4-5-18)37(36-29)31-35-25(16-43-31)30(38)39/h2-3,6-11,13,15-16,18H,4-5,12,14H2,1H3,(H,38,39)(H2,34,40,41)
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569438
PNG
(CHEMBL4847591)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCOCC2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489128
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(3- fluor...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C30H23F3N4O5S2/c31-19-2-1-3-20(14-19)42-26-13-18(7-8-22(26)32)28-21(10-17-6-9-27(23(33)11-17)44(34,40)41)25(12-16-4-5-16)37(36-28)30-35-24(15-43-30)29(38)39/h1-3,6-9,11,13-16H,4-5,10,12H2,(H,38,39)(H2,34,40,41)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569433
PNG
(CHEMBL4857703)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(OCC3CCCC3)c2)-c2nc(cs2)C(O)=O)cc1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489127
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- phenoxyp...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H25FN4O5S2/c31-24-13-10-20(16-27(24)40-21-4-2-1-3-5-21)28-23(14-18-8-11-22(12-9-18)42(32,38)39)26(15-19-6-7-19)35(34-28)30-33-25(17-41-30)29(36)37/h1-5,8-13,16-17,19H,6-7,14-15H2,(H,36,37)(H2,32,38,39)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569439
PNG
(CHEMBL4869869 | US11752138, Compound 158)
Show SMILES CC(C)N1CC2(C1)CN(C2)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569435
PNG
(CHEMBL4863968)
Show SMILES Cc1ccc(COc2cccc(c2)-c2nn(cc2Cc2ccc(cc2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)cc1
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569436
PNG
(CHEMBL4879296)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3ccc(F)cc3)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537069
PNG
(US11247971, Cmpd ID 392)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCC(CC2)C(F)(F)F)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 47n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537073
PNG
(US11247971, Cmpd ID 396)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCCC(C2)C(F)(F)F)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 59n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569437
PNG
(CHEMBL4865191)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3ccc(cc3)C(F)(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 71n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489087
PNG
(2-(3-(3-(pyridin-2- ylmethoxy)phenyl)-4- (4-sulfam...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(OCc3cccnc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H21N5O5S2/c27-38(34,35)22-8-6-17(7-9-22)11-20-14-31(26-29-23(16-37-26)25(32)33)30-24(20)19-4-1-5-21(12-19)36-15-18-3-2-10-28-13-18/h1-10,12-14,16H,11,15H2,(H,32,33)(H2,27,34,35)
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n/an/a 77n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489146
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((4- fluo...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3ccc(F)cc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C31H26F2N4O5S2/c32-22-8-3-20(4-9-22)16-42-28-15-21(7-12-25(28)33)29-24(13-18-5-10-23(11-6-18)44(34,40)41)27(14-19-1-2-19)37(36-29)31-35-26(17-43-31)30(38)39/h3-12,15,17,19H,1-2,13-14,16H2,(H,38,39)(H2,34,40,41)
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n/an/a 84n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569432
PNG
(CHEMBL4856298)
Show SMILES COc1cccc(c1)-c1nn(cc1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM488247
PNG
(2-(5-(cyclopropylmethyl)- 3-(4-fluoro-3-(2- oxopyr...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)N2CCCC2=O)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C28H25F2N5O5S2/c29-19-7-6-17(13-23(19)34-9-1-2-25(34)36)26-18(10-16-5-8-24(20(30)11-16)42(31,39)40)22(12-15-3-4-15)35(33-26)28-32-21(14-41-28)27(37)38/h5-8,11,13-15H,1-4,9-10,12H2,(H,37,38)(H2,31,39,40)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489162
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- (pyrroli...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)N2CCCC2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H27F2N5O5S2/c30-21-7-6-18(14-19(21)27(37)35-9-1-2-10-35)26-20(11-17-5-8-25(22(31)12-17)43(32,40)41)24(13-16-3-4-16)36(34-26)29-33-23(15-42-29)28(38)39/h5-8,12,14-16H,1-4,9-11,13H2,(H,38,39)(H2,32,40,41)
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n/an/a 154n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489104
PNG
(2-(5- (cyclopropylmethyl)- 3-(3- (phenylamino)phen...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(Nc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H27N5O4S2/c31-41(38,39)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)35(30-33-26(18-40-30)29(36)37)34-28(25)21-5-4-8-23(17-21)32-22-6-2-1-3-7-22/h1-8,11-14,17-18,20,32H,9-10,15-16H2,(H,36,37)(H2,31,38,39)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489129
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(p- tolyl...)
Show SMILES Cc1ccc(Oc2cc(ccc2F)-c2nn(c(CC3CC3)c2Cc2ccc(c(F)c2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C31H26F2N4O5S2/c1-17-2-8-21(9-3-17)42-27-15-20(7-10-23(27)32)29-22(12-19-6-11-28(24(33)13-19)44(34,40)41)26(14-18-4-5-18)37(36-29)31-35-25(16-43-31)30(38)39/h2-3,6-11,13,15-16,18H,4-5,12,14H2,1H3,(H,38,39)(H2,34,40,41)
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n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537017
PNG
(US11247971, Cmpd ID 340)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OCc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 590n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489147
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42)
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n/an/a 670n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537017
PNG
(US11247971, Cmpd ID 340)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OCc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 690n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537013
PNG
(US11247971, Cmpd ID 336)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OC3CCCC3)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 710n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489147
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42)
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n/an/a 730n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489129
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(p- tolyl...)
Show SMILES Cc1ccc(Oc2cc(ccc2F)-c2nn(c(CC3CC3)c2Cc2ccc(c(F)c2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C31H26F2N4O5S2/c1-17-2-8-21(9-3-17)42-27-15-20(7-10-23(27)32)29-22(12-19-6-11-28(24(33)13-19)44(34,40)41)26(14-18-4-5-18)37(36-29)31-35-25(16-43-31)30(38)39/h2-3,6-11,13,15-16,18H,4-5,12,14H2,1H3,(H,38,39)(H2,34,40,41)
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n/an/a 870n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489128
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(3- fluor...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C30H23F3N4O5S2/c31-19-2-1-3-20(14-19)42-26-13-18(7-8-22(26)32)28-21(10-17-6-9-27(23(33)11-17)44(34,40)41)25(12-16-4-5-16)37(36-28)30-35-24(15-43-30)29(38)39/h1-3,6-9,11,13-16H,4-5,10,12H2,(H,38,39)(H2,34,40,41)
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n/an/a 970n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489093
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((5- (tri...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3ccc(o3)C(F)(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C30H23F5N4O6S2/c31-20-6-4-17(12-24(20)44-13-18-5-8-26(45-18)30(33,34)35)27-19(9-16-3-7-25(21(32)10-16)47(36,42)43)23(11-15-1-2-15)39(38-27)29-37-22(14-46-29)28(40)41/h3-8,10,12,14-15H,1-2,9,11,13H2,(H,40,41)(H2,36,42,43)
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM489104
PNG
(2-(5- (cyclopropylmethyl)- 3-(3- (phenylamino)phen...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(Nc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H27N5O4S2/c31-41(38,39)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)35(30-33-26(18-40-30)29(36)37)34-28(25)21-5-4-8-23(17-21)32-22-6-2-1-3-7-22/h1-8,11-14,17-18,20,32H,9-10,15-16H2,(H,36,37)(H2,31,38,39)
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489145
PNG
(2-(5- (cyclopropylmethyl)- 3-(3-(3- fluorophenoxy)...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(Oc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H25FN4O5S2/c31-21-4-2-6-23(16-21)40-22-5-1-3-20(15-22)28-25(13-18-9-11-24(12-10-18)42(32,38)39)27(14-19-7-8-19)35(34-28)30-33-26(17-41-30)29(36)37/h1-6,9-12,15-17,19H,7-8,13-14H2,(H,36,37)(H2,32,38,39)
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n/an/a 1.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489093
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((5- (tri...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3ccc(o3)C(F)(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C30H23F5N4O6S2/c31-20-6-4-17(12-24(20)44-13-18-5-8-26(45-18)30(33,34)35)27-19(9-16-3-7-25(21(32)10-16)47(36,42)43)23(11-15-1-2-15)39(38-27)29-37-22(14-46-29)28(40)41/h3-8,10,12,14-15H,1-2,9,11,13H2,(H,40,41)(H2,36,42,43)
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537077
PNG
(US11247971, Cmpd ID 400)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CC3(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569437
PNG
(CHEMBL4865191)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3ccc(cc3)C(F)(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537077
PNG
(US11247971, Cmpd ID 400)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CC3(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489127
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- phenoxyp...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H25FN4O5S2/c31-24-13-10-20(16-27(24)40-21-4-2-1-3-5-21)28-23(14-18-8-11-22(12-9-18)42(32,38)39)26(15-19-6-7-19)35(34-28)30-33-25(17-41-30)29(36)37/h1-5,8-13,16-17,19H,6-7,14-15H2,(H,36,37)(H2,32,38,39)
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569436
PNG
(CHEMBL4879296)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3ccc(F)cc3)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489092
PNG
(2-(3-(3- cydopropoxy-4- fluorophenyl)-5- (cyclopro...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OC3CC3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C27H24F2N4O5S2/c28-19-7-4-16(12-23(19)38-17-5-6-17)25-18(9-15-3-8-24(20(29)10-15)40(30,36)37)22(11-14-1-2-14)33(32-25)27-31-21(13-39-27)26(34)35/h3-4,7-8,10,12-14,17H,1-2,5-6,9,11H2,(H,34,35)(H2,30,36,37)
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50569440
PNG
(CHEMBL4877988 | US11752138, Compound 152)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(NC(=O)c3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM489161
PNG
(2-(3-(3- (benzylcarbamoyl)-4- fluorophenyl)-5- (cy...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)NCc2ccccc2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C32H27F2N5O5S2/c33-24-10-9-21(15-22(24)30(40)36-16-19-4-2-1-3-5-19)29-23(12-20-8-11-28(25(34)13-20)46(35,43)44)27(14-18-6-7-18)39(38-29)32-37-26(17-45-32)31(41)42/h1-5,8-11,13,15,17-18H,6-7,12,14,16H2,(H,36,40)(H,41,42)(H2,35,43,44)
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489092
PNG
(2-(3-(3- cydopropoxy-4- fluorophenyl)-5- (cyclopro...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OC3CC3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C27H24F2N4O5S2/c28-19-7-4-16(12-23(19)38-17-5-6-17)25-18(9-15-3-8-24(20(29)10-15)40(30,36)37)22(11-14-1-2-14)33(32-25)27-31-21(13-39-27)26(34)35/h3-4,7-8,10,12-14,17H,1-2,5-6,9,11H2,(H,34,35)(H2,30,36,37)
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569440
PNG
(CHEMBL4877988 | US11752138, Compound 152)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(NC(=O)c3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537069
PNG
(US11247971, Cmpd ID 392)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCC(CC2)C(F)(F)F)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489090
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- ((tetrah...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CCCO3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H28F2N4O6S2/c30-21-7-6-18(13-25(21)41-14-19-2-1-9-40-19)27-20(10-17-5-8-26(22(31)11-17)43(32,38)39)24(12-16-3-4-16)35(34-27)29-33-23(15-42-29)28(36)37/h5-8,11,13,15-16,19H,1-4,9-10,12,14H2,(H,36,37)(H2,32,38,39)
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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489091
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- ((tetrah...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CCOC3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H28F2N4O6S2/c30-21-5-4-19(12-25(21)41-14-18-7-8-40-13-18)27-20(9-17-3-6-26(22(31)10-17)43(32,38)39)24(11-16-1-2-16)35(34-27)29-33-23(15-42-29)28(36)37/h3-6,10,12,15-16,18H,1-2,7-9,11,13-14H2,(H,36,37)(H2,32,38,39)
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TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM537077
PNG
(US11247971, Cmpd ID 400)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CC3(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM489092
PNG
(2-(3-(3- cydopropoxy-4- fluorophenyl)-5- (cyclopro...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OC3CC3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C27H24F2N4O5S2/c28-19-7-4-16(12-23(19)38-17-5-6-17)25-18(9-15-3-8-24(20(29)10-15)40(30,36)37)22(11-14-1-2-14)33(32-25)27-31-21(13-39-27)26(34)35/h3-4,7-8,10,12-14,17H,1-2,5-6,9,11H2,(H,34,35)(H2,30,36,37)
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TBA

Assay Description
Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489104
PNG
(2-(5- (cyclopropylmethyl)- 3-(3- (phenylamino)phen...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(Nc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H27N5O4S2/c31-41(38,39)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)35(30-33-26(18-40-30)29(36)37)34-28(25)21-5-4-8-23(17-21)32-22-6-2-1-3-7-22/h1-8,11-14,17-18,20,32H,9-10,15-16H2,(H,36,37)(H2,31,38,39)
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TBA

Assay Description
Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569441
PNG
(CHEMBL4875236)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)N2CCOCC2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489146
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((4- fluo...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3ccc(F)cc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C31H26F2N4O5S2/c32-22-8-3-20(4-9-22)16-42-28-15-21(7-12-25(28)33)29-24(13-18-5-10-23(11-6-18)44(34,40)41)27(14-19-1-2-19)37(36-29)31-35-26(17-43-31)30(38)39/h3-12,15,17,19H,1-2,13-14,16H2,(H,38,39)(H2,34,40,41)
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n/an/a 3.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM489162
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- (pyrroli...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)N2CCCC2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H27F2N5O5S2/c30-21-7-6-18(14-19(21)27(37)35-9-1-2-10-35)26-20(11-17-5-8-25(22(31)12-17)43(32,40)41)24(13-16-3-4-16)36(34-26)29-33-23(15-42-29)28(38)39/h5-8,12,14-16H,1-4,9-11,13H2,(H,38,39)(H2,32,40,41)
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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537072
PNG
(US11247971, Cmpd ID 395)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCC(F)(F)C2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489161
PNG
(2-(3-(3- (benzylcarbamoyl)-4- fluorophenyl)-5- (cy...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)NCc2ccccc2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C32H27F2N5O5S2/c33-24-10-9-21(15-22(24)30(40)36-16-19-4-2-1-3-5-19)29-23(12-20-8-11-28(25(34)13-20)46(35,43)44)27(14-18-6-7-18)39(38-29)32-37-26(17-45-32)31(41)42/h1-5,8-11,13,15,17-18H,6-7,12,14,16H2,(H,36,40)(H,41,42)(H2,35,43,44)
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n/an/a 4.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM489147
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42)
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569440
PNG
(CHEMBL4877988 | US11752138, Compound 152)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(NC(=O)c3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM537017
PNG
(US11247971, Cmpd ID 340)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OCc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489083
PNG
(2-(3-(3-((3- methoxybenzyl)oxy)phenyl)- 4-(4- sulf...)
Show SMILES COc1cccc(COc2cccc(c2)-c2nn(cc2Cc2ccc(cc2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)c1
Show InChI InChI=1S/C28H24N4O6S2/c1-37-22-6-2-4-19(13-22)16-38-23-7-3-5-20(14-23)26-21(12-18-8-10-24(11-9-18)40(29,35)36)15-32(31-26)28-30-25(17-39-28)27(33)34/h2-11,13-15,17H,12,16H2,1H3,(H,33,34)(H2,29,35,36)
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n/an/a 5.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM536955
PNG
(US11247971, Cmpd ID 278)
Show SMILES COc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 5.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM489093
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((5- (tri...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3ccc(o3)C(F)(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C30H23F5N4O6S2/c31-20-6-4-17(12-24(20)44-13-18-5-8-26(45-18)30(33,34)35)27-19(9-16-3-7-25(21(32)10-16)47(36,42)43)23(11-15-1-2-15)39(38-27)29-37-22(14-46-29)28(40)41/h3-8,10,12,14-15H,1-2,9,11,13H2,(H,40,41)(H2,36,42,43)
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n/an/a 6.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM488247
PNG
(2-(5-(cyclopropylmethyl)- 3-(4-fluoro-3-(2- oxopyr...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)N2CCCC2=O)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C28H25F2N5O5S2/c29-19-7-6-17(13-23(19)34-9-1-2-25(34)36)26-18(10-16-5-8-24(20(30)11-16)42(31,39)40)22(12-15-3-4-15)35(33-26)28-32-21(14-41-28)27(37)38/h5-8,11,13-15H,1-4,9-10,12H2,(H,37,38)(H2,31,39,40)
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n/an/a 6.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569434
PNG
(CHEMBL4854797)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1
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n/an/a 6.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489104
PNG
(2-(5- (cyclopropylmethyl)- 3-(3- (phenylamino)phen...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(Nc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H27N5O4S2/c31-41(38,39)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)35(30-33-26(18-40-30)29(36)37)34-28(25)21-5-4-8-23(17-21)32-22-6-2-1-3-7-22/h1-8,11-14,17-18,20,32H,9-10,15-16H2,(H,36,37)(H2,31,38,39)
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TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537073
PNG
(US11247971, Cmpd ID 396)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCCC(C2)C(F)(F)F)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 6.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569435
PNG
(CHEMBL4863968)
Show SMILES Cc1ccc(COc2cccc(c2)-c2nn(cc2Cc2ccc(cc2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)cc1
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n/an/a 7.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569433
PNG
(CHEMBL4857703)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(OCC3CCCC3)c2)-c2nc(cs2)C(O)=O)cc1
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n/an/a 7.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50569438
PNG
(CHEMBL4847591)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCOCC2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 8.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537074
PNG
(US11247971, Cmpd ID 397)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCCC(F)(F)C2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 8.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537071
PNG
(US11247971, Cmpd ID 394)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCC(F)(F)CC2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 8.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489161
PNG
(2-(3-(3- (benzylcarbamoyl)-4- fluorophenyl)-5- (cy...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)NCc2ccccc2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C32H27F2N5O5S2/c33-24-10-9-21(15-22(24)30(40)36-16-19-4-2-1-3-5-19)29-23(12-20-8-11-28(25(34)13-20)46(35,43)44)27(14-18-6-7-18)39(38-29)32-37-26(17-45-32)31(41)42/h1-5,8-11,13,15,17-18H,6-7,12,14,16H2,(H,36,40)(H,41,42)(H2,35,43,44)
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n/an/a 9.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569438
PNG
(CHEMBL4847591)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCOCC2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 9.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489085
PNG
(2-(3-(3- phenoxyphenyl)-4-(4- sulfamoylbenzyl)- 1H...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(Oc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H20N4O5S2/c27-37(33,34)22-11-9-17(10-12-22)13-19-15-30(26-28-23(16-36-26)25(31)32)29-24(19)18-5-4-8-21(14-18)35-20-6-2-1-3-7-20/h1-12,14-16H,13H2,(H,31,32)(H2,27,33,34)
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n/an/a 9.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489160
PNG
(2-(3-(3-(tert- butylcarbamoyl)-4- fluorophenyl)-5-...)
Show SMILES CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
Show InChI InChI=1S/C29H29F2N5O5S2/c1-29(2,3)34-26(37)18-13-17(7-8-20(18)30)25-19(10-16-6-9-24(21(31)11-16)43(32,40)41)23(12-15-4-5-15)36(35-25)28-33-22(14-42-28)27(38)39/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,34,37)(H,38,39)(H2,32,40,41)
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n/an/a 1.17E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489162
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- (pyrroli...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)N2CCCC2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H27F2N5O5S2/c30-21-7-6-18(14-19(21)27(37)35-9-1-2-10-35)26-20(11-17-5-8-25(22(31)12-17)43(32,40)41)24(13-16-3-4-16)36(34-26)29-33-23(15-42-29)28(38)39/h5-8,12,14-16H,1-4,9-11,13H2,(H,38,39)(H2,32,40,41)
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n/an/a 1.66E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489145
PNG
(2-(5- (cyclopropylmethyl)- 3-(3-(3- fluorophenoxy)...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(Oc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H25FN4O5S2/c31-21-4-2-6-23(16-21)40-22-5-1-3-20(15-22)28-25(13-18-9-11-24(12-10-18)42(32,38)39)27(14-19-7-8-19)35(34-28)30-33-26(17-41-30)29(36)37/h1-6,9-12,15-17,19H,7-8,13-14H2,(H,36,37)(H2,32,38,39)
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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM489129
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(p- tolyl...)
Show SMILES Cc1ccc(Oc2cc(ccc2F)-c2nn(c(CC3CC3)c2Cc2ccc(c(F)c2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C31H26F2N4O5S2/c1-17-2-8-21(9-3-17)42-27-15-20(7-10-23(27)32)29-22(12-19-6-11-28(24(33)13-19)44(34,40)41)26(14-18-4-5-18)37(36-29)31-35-25(16-43-31)30(38)39/h2-3,6-11,13,15-16,18H,4-5,12,14H2,1H3,(H,38,39)(H2,34,40,41)
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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489162
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- (pyrroli...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)N2CCCC2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H27F2N5O5S2/c30-21-7-6-18(14-19(21)27(37)35-9-1-2-10-35)26-20(11-17-5-8-25(22(31)12-17)43(32,40)41)24(13-16-3-4-16)36(34-26)29-33-23(15-42-29)28(38)39/h5-8,12,14-16H,1-4,9-11,13H2,(H,38,39)(H2,32,40,41)
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n/an/a 1.99E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569438
PNG
(CHEMBL4847591)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCOCC2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 2.34E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569439
PNG
(CHEMBL4869869 | US11752138, Compound 158)
Show SMILES CC(C)N1CC2(C1)CN(C2)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 2.41E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489086
PNG
(2-(3-(3-(pyridin-3- ylmethoxy)phenyl)-4- (4-sulfam...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(OCc3ccccn3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H21N5O5S2/c27-38(34,35)22-9-7-17(8-10-22)12-19-14-31(26-29-23(16-37-26)25(32)33)30-24(19)18-4-3-6-21(13-18)36-15-20-5-1-2-11-28-20/h1-11,13-14,16H,12,15H2,(H,32,33)(H2,27,34,35)
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n/an/a>5.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569432
PNG
(CHEMBL4856298)
Show SMILES COc1cccc(c1)-c1nn(cc1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a>5.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489087
PNG
(2-(3-(3-(pyridin-2- ylmethoxy)phenyl)-4- (4-sulfam...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(OCc3cccnc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H21N5O5S2/c27-38(34,35)22-8-6-17(7-9-22)11-20-14-31(26-29-23(16-37-26)25(32)33)30-24(20)19-4-1-5-21(12-19)36-15-18-3-2-10-28-13-18/h1-10,12-14,16H,11,15H2,(H,32,33)(H2,27,34,35)
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n/an/a>5.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489092
PNG
(2-(3-(3- cydopropoxy-4- fluorophenyl)-5- (cyclopro...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OC3CC3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C27H24F2N4O5S2/c28-19-7-4-16(12-23(19)38-17-5-6-17)25-18(9-15-3-8-24(20(29)10-15)40(30,36)37)22(11-14-1-2-14)33(32-25)27-31-21(13-39-27)26(34)35/h3-4,7-8,10,12-14,17H,1-2,5-6,9,11H2,(H,34,35)(H2,30,36,37)
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n/an/an/a 0.00400n/an/an/an/an/a


TBA

Assay Description
Binding affinity to LDHA (unknown origin) by SPR analysis

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489093
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((5- (tri...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3ccc(o3)C(F)(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C30H23F5N4O6S2/c31-20-6-4-17(12-24(20)44-13-18-5-8-26(45-18)30(33,34)35)27-19(9-16-3-7-25(21(32)10-16)47(36,42)43)23(11-15-1-2-15)39(38-27)29-37-22(14-46-29)28(40)41/h3-8,10,12,14-15H,1-2,9,11,13H2,(H,40,41)(H2,36,42,43)
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n/an/an/a 0.00100n/an/an/an/an/a


TBA

Assay Description
Binding affinity to LDHA (unknown origin) by SPR analysis

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489129
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(p- tolyl...)
Show SMILES Cc1ccc(Oc2cc(ccc2F)-c2nn(c(CC3CC3)c2Cc2ccc(c(F)c2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C31H26F2N4O5S2/c1-17-2-8-21(9-3-17)42-27-15-20(7-10-23(27)32)29-22(12-19-6-11-28(24(33)13-19)44(34,40)41)26(14-18-4-5-18)37(36-29)31-35-25(16-43-31)30(38)39/h2-3,6-11,13,15-16,18H,4-5,12,14H2,1H3,(H,38,39)(H2,34,40,41)
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n/an/an/a 1.10n/an/an/an/an/a


TBA

Assay Description
Binding affinity to LDHA (unknown origin) by SPR analysis

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569438
PNG
(CHEMBL4847591)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCOCC2)-c2nc(cs2)C(O)=O)cc1F
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n/an/an/a 0.440n/an/an/an/an/a


TBA

Assay Description
Binding affinity to LDHA (unknown origin) by SPR analysis

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489104
PNG
(2-(5- (cyclopropylmethyl)- 3-(3- (phenylamino)phen...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(Nc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H27N5O4S2/c31-41(38,39)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)35(30-33-26(18-40-30)29(36)37)34-28(25)21-5-4-8-23(17-21)32-22-6-2-1-3-7-22/h1-8,11-14,17-18,20,32H,9-10,15-16H2,(H,36,37)(H2,31,38,39)
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n/an/an/a 1.5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to LDHA (unknown origin) by SPR analysis

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537077
PNG
(US11247971, Cmpd ID 400)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CC3(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/an/a 0.00800n/an/an/an/an/a


TBA

Assay Description
Binding affinity to LDHA (unknown origin) by SPR analysis

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537017
PNG
(US11247971, Cmpd ID 340)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OCc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/an/a 0.0160n/an/an/an/an/a


TBA

Assay Description
Binding affinity to LDHA (unknown origin) by SPR analysis

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489147
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42)
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n/an/an/a 0.910n/an/an/an/an/a


TBA

Assay Description
Binding affinity to LDHA (unknown origin) by SPR analysis

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%