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Compile Data Set for Download or QSAR

Found 426 hits of ic50 data for polymerid = 2347   
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))
BDBM50597915
PNG
(CHEMBL5185237)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Nc2ccc(F)cc2)n1 |c:1|
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n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597915
PNG
(CHEMBL5185237)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Nc2ccc(F)cc2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597916
PNG
(CHEMBL5201115)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Oc2ccc(F)cc2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597916
PNG
(CHEMBL5201115)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Oc2ccc(F)cc2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597908
PNG
(CHEMBL5181496)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597908
PNG
(CHEMBL5181496)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B 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 5n/an/an/an/an/an/a



Genentech



Assay Description
LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37...


Nat Chem Biol 12: 779-86 (2016)


Article DOI: 10.1038/nchembio.2143
BindingDB Entry DOI: 10.7270/Q2W95800
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B 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 5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
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 B chain


(Homo sapiens (Human))
BDBM50597909
PNG
(CHEMBL5196929)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCOCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597909
PNG
(CHEMBL5196929)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCOCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597898
PNG
(CHEMBL5172378)
Show SMILES Nc1cccc(c1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccsc1 |t:11|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597898
PNG
(CHEMBL5172378)
Show SMILES Nc1cccc(c1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccsc1 |t:11|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597913
PNG
(CHEMBL5194549)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2ccccc2)n1 |c:1|
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n/an/a 9.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597913
PNG
(CHEMBL5194549)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2ccccc2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597906
PNG
(CHEMBL5183539)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@](C1)(c1cccc(Nc2ccc(F)cc2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |r,c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597896
PNG
(CHEMBL5181996)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1ccccc1O |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597896
PNG
(CHEMBL5181996)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1ccccc1O |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597905
PNG
(CHEMBL5182266)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597905
PNG
(CHEMBL5182266)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
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 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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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))
BDBM50597914
PNG
(CHEMBL5188480)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2cccc3ncccc23)n1 |c:1|
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n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597914
PNG
(CHEMBL5188480)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2cccc3ncccc23)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
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 B chain


(Homo sapiens (Human))
BDBM50534334
PNG
(CHEMBL4436150)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |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)
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n/an/a 30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597910
PNG
(CHEMBL5202219)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597910
PNG
(CHEMBL5202219)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50534318
PNG
(CHEMBL4576717)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)c1 |c:1|
Show InChI InChI=1S/C27H20ClFN2O2S2/c28-22-6-1-2-7-24(22)35-25-23(32)15-27(31-26(25)33,18-12-13-34-16-18)17-4-3-5-21(14-17)30-20-10-8-19(29)9-11-20/h1-14,16,30,32H,15H2,(H,31,33)
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n/an/a 35n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50534309
PNG
(CHEMBL4467769)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(cc1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)N1)c1ccsc1 |t:20|
Show InChI InChI=1S/C27H26ClN3O3S2/c1-18(32)30-11-13-31(14-12-30)21-8-6-19(7-9-21)27(20-10-15-35-17-20)16-23(33)25(26(34)29-27)36-24-5-3-2-4-22(24)28/h2-10,15,17,33H,11-14,16H2,1H3,(H,29,34)
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n/an/a 35n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B 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 43n/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH1 in presence of NADH


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50534335
PNG
(CHEMBL4536094)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCS(=O)(=O)CC1 |c:1|
Show InChI InChI=1S/C25H23ClN2O4S3/c26-20-3-1-2-4-22(20)34-23-21(29)15-25(27-24(23)30,18-9-12-33-16-18)17-5-7-19(8-6-17)28-10-13-35(31,32)14-11-28/h1-9,12,16,29H,10-11,13-15H2,(H,27,30)
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Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597907
PNG
(CHEMBL5189879)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1cccc(Nc2ccc(F)cc2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |r,c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597902
PNG
(CHEMBL5177632)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)O[C@@](C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)c1 |r,c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
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 B chain


(Homo sapiens (Human))
BDBM50534330
PNG
(CHEMBL4520899)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCCCC1 |c:1|
Show InChI InChI=1S/C26H25ClN2O2S2/c27-21-6-2-3-7-23(21)33-24-22(30)16-26(28-25(24)31,19-12-15-32-17-19)18-8-10-20(11-9-18)29-13-4-1-5-14-29/h2-3,6-12,15,17,30H,1,4-5,13-14,16H2,(H,28,31)
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n/an/a 49n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50534323
PNG
(CHEMBL4444963)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCCC1 |c:1|
Show InChI InChI=1S/C25H23ClN2O2S2/c26-20-5-1-2-6-22(20)32-23-21(29)15-25(27-24(23)30,18-11-14-31-16-18)17-7-9-19(10-8-17)28-12-3-4-13-28/h1-2,5-11,14,16,29H,3-4,12-13,15H2,(H,27,30)
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n/an/a 50n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50534316
PNG
(CHEMBL4453059)
Show SMILES CN(C)c1ccc(cc1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)N1)c1ccsc1 |t:13|
Show InChI InChI=1S/C23H21ClN2O2S2/c1-26(2)17-9-7-15(8-10-17)23(16-11-12-29-14-16)13-19(27)21(22(28)25-23)30-20-6-4-3-5-18(20)24/h3-12,14,27H,13H2,1-2H3,(H,25,28)
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Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597912
PNG
(CHEMBL5196259)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NCc2ccc(F)cc2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50534329
PNG
(CHEMBL4521960)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(O)cc1 |c:1|
Show InChI InChI=1S/C21H16ClNO3S2/c22-16-3-1-2-4-18(16)28-19-17(25)11-21(23-20(19)26,14-9-10-27-12-14)13-5-7-15(24)8-6-13/h1-10,12,24-25H,11H2,(H,23,26)
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Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597912
PNG
(CHEMBL5196259)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NCc2ccc(F)cc2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50534331
PNG
(CHEMBL4475593)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCC(CC1)C#N |c:1|
Show InChI InChI=1S/C27H24ClN3O2S2/c28-22-3-1-2-4-24(22)35-25-23(32)15-27(30-26(25)33,20-11-14-34-17-20)19-5-7-21(8-6-19)31-12-9-18(16-29)10-13-31/h1-8,11,14,17-18,32H,9-10,12-13,15H2,(H,30,33)
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Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
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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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))
BDBM50597904
PNG
(CHEMBL5176448)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cn2)c1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597904
PNG
(CHEMBL5176448)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cn2)c1 |c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50534307
PNG
(CHEMBL4543949)
Show SMILES CC1(C)CN(CCO1)c1ccc(cc1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)N1)c1ccsc1 |t:19|
Show InChI InChI=1S/C27H27ClN2O3S2/c1-26(2)17-30(12-13-33-26)20-9-7-18(8-10-20)27(19-11-14-34-16-19)15-22(31)24(25(32)29-27)35-23-6-4-3-5-21(23)28/h3-11,14,16,31H,12-13,15,17H2,1-2H3,(H,29,32)
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Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597895
PNG
(CHEMBL5189798)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccccc1)c1ccccc1O |c:1|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50534306
PNG
(CHEMBL4450897)
Show SMILES COC1CCN(CC1)c1ccc(cc1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)N1)c1ccsc1 |t:19|
Show InChI InChI=1S/C27H27ClN2O3S2/c1-33-21-10-13-30(14-11-21)20-8-6-18(7-9-20)27(19-12-15-34-17-19)16-23(31)25(26(32)29-27)35-24-5-3-2-4-22(24)28/h2-9,12,15,17,21,31H,10-11,13-14,16H2,1H3,(H,29,32)
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n/an/a 75n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
BindingDB Entry DOI: 10.7270/Q2V40ZP9
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50597903
PNG
(CHEMBL5197729)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)O[C@](C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)c1 |r,c:1|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128576
BindingDB Entry DOI: 10.7270/Q2251P69
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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Article
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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
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