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PubMed code 29120638

Compile Data Set for Download or QSAR

Found 216 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 B chain


(Homo sapiens (Human))		BDBM50250655
PNG
(CHEMBL4059985 | US10961200, Compound 189 | US11247...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C24H22N4O4S2/c25-34(31,32)18-10-8-15(9-11-18)12-19-21(13-16-6-7-16)28(24-26-20(14-33-24)23(29)30)27-22(19)17-4-2-1-3-5-17/h1-5,8-11,14,16H,6-7,12-13H2,(H,29,30)(H2,25,31,32)
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n/an/a 8n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250655
PNG
(CHEMBL4059985 | US10961200, Compound 189 | US11247...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C24H22N4O4S2/c25-34(31,32)18-10-8-15(9-11-18)12-19-21(13-16-6-7-16)28(24-26-20(14-33-24)23(29)30)27-22(19)17-4-2-1-3-5-17/h1-5,8-11,14,16H,6-7,12-13H2,(H,29,30)(H2,25,31,32)
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n/an/a 9n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250655
PNG
(CHEMBL4059985 | US10961200, Compound 189 | US11247...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C24H22N4O4S2/c25-34(31,32)18-10-8-15(9-11-18)12-19-21(13-16-6-7-16)28(24-26-20(14-33-24)23(29)30)27-22(19)17-4-2-1-3-5-17/h1-5,8-11,14,16H,6-7,12-13H2,(H,29,30)(H2,25,31,32)
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n/an/a 9n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM197160
PNG
(GNE-140 (6))
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1|
Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1
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n/an/a<10n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human LDHA using sodium pyruvate as substrate in presence of NAPDH

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250653
PNG
(CHEMBL4090677 | US10961200, Compound 46 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H20N4O4S2/c24-33(30,31)17-10-6-14(7-11-17)12-18-20(15-4-2-1-3-5-15)26-27(21(18)16-8-9-16)23-25-19(13-32-23)22(28)29/h1-7,10-11,13,16H,8-9,12H2,(H,28,29)(H2,24,30,31)
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n/an/a 19n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250653
PNG
(CHEMBL4090677 | US10961200, Compound 46 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H20N4O4S2/c24-33(30,31)17-10-6-14(7-11-17)12-18-20(15-4-2-1-3-5-15)26-27(21(18)16-8-9-16)23-25-19(13-32-23)22(28)29/h1-7,10-11,13,16H,8-9,12H2,(H,28,29)(H2,24,30,31)
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n/an/a 19n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50250677
PNG
(CHEMBL4100845 | US10961200, Compound 52 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H24N4O4S2/c30-39(36,37)23-13-9-18(10-14-23)15-24-26(22-8-4-7-21(16-22)19-5-2-1-3-6-19)32-33(27(24)20-11-12-20)29-31-25(17-38-29)28(34)35/h1-10,13-14,16-17,20H,11-12,15H2,(H,34,35)(H2,30,36,37)
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n/an/a 20n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50250653
PNG
(CHEMBL4090677 | US10961200, Compound 46 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H20N4O4S2/c24-33(30,31)17-10-6-14(7-11-17)12-18-20(15-4-2-1-3-5-15)26-27(21(18)16-8-9-16)23-25-19(13-32-23)22(28)29/h1-7,10-11,13,16H,8-9,12H2,(H,28,29)(H2,24,30,31)
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n/an/a 20n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250677
PNG
(CHEMBL4100845 | US10961200, Compound 52 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H24N4O4S2/c30-39(36,37)23-13-9-18(10-14-23)15-24-26(22-8-4-7-21(16-22)19-5-2-1-3-6-19)32-33(27(24)20-11-12-20)29-31-25(17-38-29)28(34)35/h1-10,13-14,16-17,20H,11-12,15H2,(H,34,35)(H2,30,36,37)
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n/an/a 27n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250677
PNG
(CHEMBL4100845 | US10961200, Compound 52 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H24N4O4S2/c30-39(36,37)23-13-9-18(10-14-23)15-24-26(22-8-4-7-21(16-22)19-5-2-1-3-6-19)32-33(27(24)20-11-12-20)29-31-25(17-38-29)28(34)35/h1-10,13-14,16-17,20H,11-12,15H2,(H,34,35)(H2,30,36,37)
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n/an/a 27n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50250656
PNG
(CHEMBL4081890 | US11247971, Cmpd ID 276)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H26N4O4S2/c31-40(37,38)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)34(30-32-26(18-39-30)29(35)36)33-28(25)23-8-4-7-22(17-23)21-5-2-1-3-6-21/h1-8,11-14,17-18,20H,9-10,15-16H2,(H,35,36)(H2,31,37,38)
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n/an/a 27n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250656
PNG
(CHEMBL4081890 | US11247971, Cmpd ID 276)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H26N4O4S2/c31-40(37,38)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)34(30-32-26(18-39-30)29(35)36)33-28(25)23-8-4-7-22(17-23)21-5-2-1-3-6-21/h1-8,11-14,17-18,20H,9-10,15-16H2,(H,35,36)(H2,31,37,38)
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n/an/a 32n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250656
PNG
(CHEMBL4081890 | US11247971, Cmpd ID 276)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C30H26N4O4S2/c31-40(37,38)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)34(30-32-26(18-39-30)29(35)36)33-28(25)23-8-4-7-22(17-23)21-5-2-1-3-6-21/h1-8,11-14,17-18,20H,9-10,15-16H2,(H,35,36)(H2,31,37,38)
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n/an/a 32n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250648
PNG
(CHEMBL4080497 | US10961200, Compound 20 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H20N4O4S2/c27-36(33,34)22-11-9-17(10-12-22)13-21-15-30(26-28-23(16-35-26)25(31)32)29-24(21)20-8-4-7-19(14-20)18-5-2-1-3-6-18/h1-12,14-16H,13H2,(H,31,32)(H2,27,33,34)
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n/an/a 38n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250648
PNG
(CHEMBL4080497 | US10961200, Compound 20 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H20N4O4S2/c27-36(33,34)22-11-9-17(10-12-22)13-21-15-30(26-28-23(16-35-26)25(31)32)29-24(21)20-8-4-7-19(14-20)18-5-2-1-3-6-18/h1-12,14-16H,13H2,(H,31,32)(H2,27,33,34)
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n/an/a 38n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50103568
PNG
(CHEMBL3335794)
Show SMILES COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(c4)C(O)=O)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1
Show InChI InChI=1S/C31H25F2N5O7S/c1-43-29-25(14-35-31(37-29)44-2)16-3-6-24-26(9-16)34-15-27(46(41,42)38-20-4-5-20)28(24)36-21-7-17(30(39)40)8-22(13-21)45-23-11-18(32)10-19(33)12-23/h3,6-15,20,38H,4-5H2,1-2H3,(H,34,36)(H,39,40)
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n/an/a 38n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50103568
PNG
(CHEMBL3335794)
Show SMILES COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(c4)C(O)=O)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1
Show InChI InChI=1S/C31H25F2N5O7S/c1-43-29-25(14-35-31(37-29)44-2)16-3-6-24-26(9-16)34-15-27(46(41,42)38-20-4-5-20)28(24)36-21-7-17(30(39)40)8-22(13-21)45-23-11-18(32)10-19(33)12-23/h3,6-15,20,38H,4-5H2,1-2H3,(H,34,36)(H,39,40)
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n/an/a 38n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250689
PNG
(CHEMBL4069726 | US10961200, Compound 47 | US112479...)
Show SMILES Cc1c(Cc2ccc(cc2)S(N)(=O)=O)c(nn1-c1nc(cs1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C21H18N4O4S2/c1-13-17(11-14-7-9-16(10-8-14)31(22,28)29)19(15-5-3-2-4-6-15)24-25(13)21-23-18(12-30-21)20(26)27/h2-10,12H,11H2,1H3,(H,26,27)(H2,22,28,29)
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n/an/a 42n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50250648
PNG
(CHEMBL4080497 | US10961200, Compound 20 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H20N4O4S2/c27-36(33,34)22-11-9-17(10-12-22)13-21-15-30(26-28-23(16-35-26)25(31)32)29-24(21)20-8-4-7-19(14-20)18-5-2-1-3-6-18/h1-12,14-16H,13H2,(H,31,32)(H2,27,33,34)
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n/an/a 49n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250652
PNG
(CHEMBL4101800 | US10961200, Compound 42 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C(F)(F)F)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H19F3N4O4S2/c28-27(29,30)24-21(13-16-9-11-20(12-10-16)40(31,37)38)23(33-34(24)26-32-22(15-39-26)25(35)36)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15H,13H2,(H,35,36)(H2,31,37,38)
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n/an/a 53n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250652
PNG
(CHEMBL4101800 | US10961200, Compound 42 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C(F)(F)F)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H19F3N4O4S2/c28-27(29,30)24-21(13-16-9-11-20(12-10-16)40(31,37)38)23(33-34(24)26-32-22(15-39-26)25(35)36)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15H,13H2,(H,35,36)(H2,31,37,38)
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n/an/a 53n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250649
PNG
(CHEMBL4076027 | US10961200, Compound 51 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C25H19N5O4S2/c26-36(33,34)20-11-9-19(10-12-20)27-21-14-30(25-28-22(15-35-25)24(31)32)29-23(21)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-15,27H,(H,31,32)(H2,26,33,34)
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n/an/a 57n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250649
PNG
(CHEMBL4076027 | US10961200, Compound 51 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C25H19N5O4S2/c26-36(33,34)20-11-9-19(10-12-20)27-21-14-30(25-28-22(15-35-25)24(31)32)29-23(21)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-15,27H,(H,31,32)(H2,26,33,34)
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n/an/a 57n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250649
PNG
(CHEMBL4076027 | US10961200, Compound 51 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C25H19N5O4S2/c26-36(33,34)20-11-9-19(10-12-20)27-21-14-30(25-28-22(15-35-25)24(31)32)29-23(21)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-15,27H,(H,31,32)(H2,26,33,34)
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n/an/a 57n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50250652
PNG
(CHEMBL4101800 | US10961200, Compound 42 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C(F)(F)F)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H19F3N4O4S2/c28-27(29,30)24-21(13-16-9-11-20(12-10-16)40(31,37)38)23(33-34(24)26-32-22(15-39-26)25(35)36)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15H,13H2,(H,35,36)(H2,31,37,38)
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n/an/a 62n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250667
PNG
(CHEMBL4075666 | US10961200, Compound 40 | US112479...)
Show SMILES Nc1c(Cc2ccc(cc2)S(N)(=O)=O)c(nn1-c1nc(cs1)C(O)=O)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H21N5O4S2/c27-24-21(13-16-9-11-20(12-10-16)37(28,34)35)23(30-31(24)26-29-22(15-36-26)25(32)33)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15H,13,27H2,(H,32,33)(H2,28,34,35)
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n/an/a 65n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250667
PNG
(CHEMBL4075666 | US10961200, Compound 40 | US112479...)
Show SMILES Nc1c(Cc2ccc(cc2)S(N)(=O)=O)c(nn1-c1nc(cs1)C(O)=O)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H21N5O4S2/c27-24-21(13-16-9-11-20(12-10-16)37(28,34)35)23(30-31(24)26-29-22(15-36-26)25(32)33)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15H,13,27H2,(H,32,33)(H2,28,34,35)
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n/an/a 65n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250691
PNG
(CHEMBL4062709 | US10961200, Compound 166 | US11247...)
Show SMILES NS(=O)(=O)c1ccc(Oc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H18N4O5S2/c23-33(29,30)16-10-8-15(9-11-16)31-20-18(13-4-2-1-3-5-13)25-26(19(20)14-6-7-14)22-24-17(12-32-22)21(27)28/h1-5,8-12,14H,6-7H2,(H,27,28)(H2,23,29,30)
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n/an/a 65n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50250667
PNG
(CHEMBL4075666 | US10961200, Compound 40 | US112479...)
Show SMILES Nc1c(Cc2ccc(cc2)S(N)(=O)=O)c(nn1-c1nc(cs1)C(O)=O)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H21N5O4S2/c27-24-21(13-16-9-11-20(12-10-16)37(28,34)35)23(30-31(24)26-29-22(15-36-26)25(32)33)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15H,13,27H2,(H,32,33)(H2,28,34,35)
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n/an/a 75n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50250649
PNG
(CHEMBL4076027 | US10961200, Compound 51 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C25H19N5O4S2/c26-36(33,34)20-11-9-19(10-12-20)27-21-14-30(25-28-22(15-35-25)24(31)32)29-23(21)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-15,27H,(H,31,32)(H2,26,33,34)
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n/an/a 78n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250641
PNG
(CHEMBL4069450 | US10961200, Compound 97 | US112479...)
Show SMILES OC(=O)c1csc(n1)-n1nc(cc1O)-c1ccc(F)cc1F
Show InChI InChI=1S/C13H7F2N3O3S/c14-6-1-2-7(8(15)3-6)9-4-11(19)18(17-9)13-16-10(5-22-13)12(20)21/h1-5,19H,(H,20,21)
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n/an/a 84n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250676
PNG
(CHEMBL4076958 | US10961200, Compound 48 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C19H15N5O4S2/c20-30(27,28)14-8-6-13(7-9-14)21-15-10-24(19-22-16(11-29-19)18(25)26)23-17(15)12-4-2-1-3-5-12/h1-11,21H,(H,25,26)(H2,20,27,28)
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n/an/a 91n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250676
PNG
(CHEMBL4076958 | US10961200, Compound 48 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C19H15N5O4S2/c20-30(27,28)14-8-6-13(7-9-14)21-15-10-24(19-22-16(11-29-19)18(25)26)23-17(15)12-4-2-1-3-5-12/h1-11,21H,(H,25,26)(H2,20,27,28)
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n/an/a 91n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250676
PNG
(CHEMBL4076958 | US10961200, Compound 48 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C19H15N5O4S2/c20-30(27,28)14-8-6-13(7-9-14)21-15-10-24(19-22-16(11-29-19)18(25)26)23-17(15)12-4-2-1-3-5-12/h1-11,21H,(H,25,26)(H2,20,27,28)
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n/an/a 91n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250675
PNG
(CHEMBL4069796 | US10961200, Compound 41 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2ccc(F)c(F)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C20H14F2N4O4S2/c21-15-6-3-12(8-16(15)22)18-13(7-11-1-4-14(5-2-11)32(23,29)30)9-26(25-18)20-24-17(10-31-20)19(27)28/h1-6,8-10H,7H2,(H,27,28)(H2,23,29,30)
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n/an/a 95n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250695
PNG
(CHEMBL4103659 | US10961200, Compound 63 | US112479...)
Show SMILES OC(=O)c1csc(n1)-n1nc(cc1O)-c1cccc(c1)-c1ccccc1F
Show InChI InChI=1S/C19H12FN3O3S/c20-14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-17(24)23(22-15)19-21-16(10-27-19)18(25)26/h1-10,24H,(H,25,26)
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n/an/a 95n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250665
PNG
(CHEMBL4076264 | US10961200, Compound 425 | US11247...)
Show SMILES OC(=O)c1csc(n1)-n1nc(cc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C13H8FN3O3S/c14-8-3-1-7(2-4-8)9-5-11(18)17(16-9)13-15-10(6-21-13)12(19)20/h1-6,18H,(H,19,20)
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n/an/a 95n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250675
PNG
(CHEMBL4069796 | US10961200, Compound 41 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2ccc(F)c(F)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C20H14F2N4O4S2/c21-15-6-3-12(8-16(15)22)18-13(7-11-1-4-14(5-2-11)32(23,29)30)9-26(25-18)20-24-17(10-31-20)19(27)28/h1-6,8-10H,7H2,(H,27,28)(H2,23,29,30)
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n/an/a 95n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250675
PNG
(CHEMBL4069796 | US10961200, Compound 41 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2ccc(F)c(F)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C20H14F2N4O4S2/c21-15-6-3-12(8-16(15)22)18-13(7-11-1-4-14(5-2-11)32(23,29)30)9-26(25-18)20-24-17(10-31-20)19(27)28/h1-6,8-10H,7H2,(H,27,28)(H2,23,29,30)
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n/an/a 95n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50250676
PNG
(CHEMBL4076958 | US10961200, Compound 48 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C19H15N5O4S2/c20-30(27,28)14-8-6-13(7-9-14)21-15-10-24(19-22-16(11-29-19)18(25)26)23-17(15)12-4-2-1-3-5-12/h1-11,21H,(H,25,26)(H2,20,27,28)
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n/an/a 96n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250681
PNG
(CHEMBL4096677)
Show SMILES OC(=O)c1csc(n1)-n1nc(cc1O)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H7Cl2N3O3S/c14-7-2-1-6(3-8(7)15)9-4-11(19)18(17-9)13-16-10(5-22-13)12(20)21/h1-5,19H,(H,20,21)
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n/an/a 106n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250642
PNG
(CHEMBL4095904 | US10961200, Compound 95 | US112479...)
Show SMILES OC(=O)c1csc(n1)-n1nc(cc1O)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C13H7F2N3O3S/c14-7-1-6(2-8(15)3-7)9-4-11(19)18(17-9)13-16-10(5-22-13)12(20)21/h1-5,19H,(H,20,21)
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n/an/a 110n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250654
PNG
(CHEMBL4082867 | US10961200, Compound 187 | US11247...)
Show SMILES NS(=O)(=O)c1ccc(Oc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H22N4O5S2/c29-39(35,36)22-13-11-21(12-14-22)37-26-24(20-8-4-7-19(15-20)17-5-2-1-3-6-17)31-32(25(26)18-9-10-18)28-30-23(16-38-28)27(33)34/h1-8,11-16,18H,9-10H2,(H,33,34)(H2,29,35,36)
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n/an/a 110n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250654
PNG
(CHEMBL4082867 | US10961200, Compound 187 | US11247...)
Show SMILES NS(=O)(=O)c1ccc(Oc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H22N4O5S2/c29-39(35,36)22-13-11-21(12-14-22)37-26-24(20-8-4-7-19(15-20)17-5-2-1-3-6-17)31-32(25(26)18-9-10-18)28-30-23(16-38-28)27(33)34/h1-8,11-16,18H,9-10H2,(H,33,34)(H2,29,35,36)
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n/an/a 110n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250654
PNG
(CHEMBL4082867 | US10961200, Compound 187 | US11247...)
Show SMILES NS(=O)(=O)c1ccc(Oc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H22N4O5S2/c29-39(35,36)22-13-11-21(12-14-22)37-26-24(20-8-4-7-19(15-20)17-5-2-1-3-6-17)31-32(25(26)18-9-10-18)28-30-23(16-38-28)27(33)34/h1-8,11-16,18H,9-10H2,(H,33,34)(H2,29,35,36)
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n/an/a 110n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250690
PNG
(CHEMBL4067976 | US10961200, Compound 50 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C#N)-c2ccccc2)cc1
Show InChI InChI=1S/C21H15N5O4S2/c22-11-18-16(10-13-6-8-15(9-7-13)32(23,29)30)19(14-4-2-1-3-5-14)25-26(18)21-24-17(12-31-21)20(27)28/h1-9,12H,10H2,(H,27,28)(H2,23,29,30)
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n/an/a 115n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50250654
PNG
(CHEMBL4082867 | US10961200, Compound 187 | US11247...)
Show SMILES NS(=O)(=O)c1ccc(Oc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H22N4O5S2/c29-39(35,36)22-13-11-21(12-14-22)37-26-24(20-8-4-7-19(15-20)17-5-2-1-3-6-17)31-32(25(26)18-9-10-18)28-30-23(16-38-28)27(33)34/h1-8,11-16,18H,9-10H2,(H,33,34)(H2,29,35,36)
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n/an/a 119n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250699
PNG
(CHEMBL4098516 | US10961200, Compound 33 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Oc2cn(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C19H14N4O5S2/c20-30(26,27)14-8-6-13(7-9-14)28-16-10-23(19-21-15(11-29-19)18(24)25)22-17(16)12-4-2-1-3-5-12/h1-11H,(H,24,25)(H2,20,26,27)
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n/an/a 124n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM50250675
PNG
(CHEMBL4069796 | US10961200, Compound 41 | US112479...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2ccc(F)c(F)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C20H14F2N4O4S2/c21-15-6-3-12(8-16(15)22)18-13(7-11-1-4-14(5-2-11)32(23,29)30)9-26(25-18)20-24-17(10-31-20)19(27)28/h1-6,8-10H,7H2,(H,27,28)(H2,23,29,30)
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n/an/a 129n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50250669
PNG
(CHEMBL4081640)
Show SMILES OC(=O)c1csc(n1)-n1nc(cc1O)-c1ccccc1F
Show InChI InChI=1S/C13H8FN3O3S/c14-8-4-2-1-3-7(8)9-5-11(18)17(16-9)13-15-10(6-21-13)12(19)20/h1-6,18H,(H,19,20)
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n/an/a 134n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...

J Med Chem 60: 9184-9204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00941
BindingDB Entry DOI: 10.7270/Q2DJ5J28
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 216 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%