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Compile Data Set for Download or QSAR

Found 613 hits with Last Name = 'corson' and Initial = 'lb'   
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))
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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n/an/a 0.900n/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 A 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 A 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))
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))
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 A 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 A 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 A 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 A 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))
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 A 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 A 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 A 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 A 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 A 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 A 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))
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 A 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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n/an/a 2.90n/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
3D
3D Structure (crystal)
L-lactate dehydrogenase A 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
3D
3D Structure (crystal)
L-lactate dehydrogenase A 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 A 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 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 3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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
3D
3D Structure (crystal)
L-lactate dehydrogenase A 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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHA 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 A 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 A 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 A 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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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 A 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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n/an/a 4n/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
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534305
PNG
(CHEMBL4435570)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(NC2CCCCC2)c1 |c:1|
Show InChI InChI=1S/C27H27ClN2O2S2/c28-22-11-4-5-12-24(22)34-25-23(31)16-27(30-26(25)32,19-13-14-33-17-19)18-7-6-10-21(15-18)29-20-8-2-1-3-9-20/h4-7,10-15,17,20,29,31H,1-3,8-9,16H2,(H,30,32)
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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))
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 A 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 5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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 A chain


(Homo sapiens (Human))
BDBM50089931
PNG
(CHEMBL3581197)
Show SMILES C[C@@H](OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1)c1ccccc1 |r,c:13|
Show InChI InChI=1S/C28H23Cl3O4S/c1-16(18-6-3-2-4-7-18)35-26(34)13-17-10-11-20(29)25(12-17)36-28-23(32)14-19(15-24(28)33)27-21(30)8-5-9-22(27)31/h2-12,16,19,32H,13-15H2,1H3/t16-,19?/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A 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 7n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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))
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 A 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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n/an/a 8.60n/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 A 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))
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 A 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 9n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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 A chain


(Homo sapiens (Human))
BDBM50534304
PNG
(CHEMBL4545064)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(NC2CCOCC2)c1 |c:1|
Show InChI InChI=1S/C26H25ClN2O3S2/c27-21-6-1-2-7-23(21)34-24-22(30)15-26(29-25(24)31,18-10-13-33-16-18)17-4-3-5-20(14-17)28-19-8-11-32-12-9-19/h1-7,10,13-14,16,19,28,30H,8-9,11-12,15H2,(H,29,31)
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n/an/a 9n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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 A 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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHA 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))
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))
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 A 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 LDHA 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 A 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 A 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 A 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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n/an/a 13n/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
3D
3D Structure (crystal)
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