BindingDB logo
myBDB logout

PubMed code 25467161

Compile data set for download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040095
PNG
(CHEMBL3359440)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3c2cccc3-c2ccccc2)C1 |c:1|
Show InChI InChI=1S/C25H19ClO3S/c26-20-11-4-5-12-22(20)30-23-21(27)15-25(29-24(23)28)14-13-18-17(9-6-10-19(18)25)16-7-2-1-3-8-16/h1-12,27H,13-15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040095
PNG
(CHEMBL3359440)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3c2cccc3-c2ccccc2)C1 |c:1|
Show InChI InChI=1S/C25H19ClO3S/c26-20-11-4-5-12-22(20)30-23-21(27)15-25(29-24(23)28)14-13-18-17(9-6-10-19(18)25)16-7-2-1-3-8-16/h1-12,27H,13-15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040094
PNG
(CHEMBL3359439)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3c2cccc3Br)C1 |c:1|
Show InChI InChI=1S/C19H14BrClO3S/c20-13-5-3-4-12-11(13)8-9-19(12)10-15(22)17(18(23)24-19)25-16-7-2-1-6-14(16)21/h1-7,22H,8-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040094
PNG
(CHEMBL3359439)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3c2cccc3Br)C1 |c:1|
Show InChI InChI=1S/C19H14BrClO3S/c20-13-5-3-4-12-11(13)8-9-19(12)10-15(22)17(18(23)24-19)25-16-7-2-1-6-14(16)21/h1-7,22H,8-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040093
PNG
(CHEMBL3359438)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3ccccc23)C1 |c:1|
Show InChI InChI=1S/C19H15ClO3S/c20-14-7-3-4-8-16(14)24-17-15(21)11-19(23-18(17)22)10-9-12-5-1-2-6-13(12)19/h1-8,21H,9-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040093
PNG
(CHEMBL3359438)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3ccccc23)C1 |c:1|
Show InChI InChI=1S/C19H15ClO3S/c20-14-7-3-4-8-16(14)24-17-15(21)11-19(23-18(17)22)10-9-12-5-1-2-6-13(12)19/h1-8,21H,9-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040092
PNG
(CHEMBL3359437)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCCc3ccccc23)C1 |c:1|
Show InChI InChI=1S/C20H17ClO3S/c21-15-9-3-4-10-17(15)25-18-16(22)12-20(24-19(18)23)11-5-7-13-6-1-2-8-14(13)20/h1-4,6,8-10,22H,5,7,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040092
PNG
(CHEMBL3359437)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCCc3ccccc23)C1 |c:1|
Show InChI InChI=1S/C20H17ClO3S/c21-15-9-3-4-10-17(15)25-18-16(22)12-20(24-19(18)23)11-5-7-13-6-1-2-8-14(13)20/h1-4,6,8-10,22H,5,7,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040027
PNG
(CHEMBL3358878)
Show SMILES CCOc1cccc(c1)C1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 |t:13|
Show InChI InChI=1S/C19H17ClO4S/c1-2-23-13-7-5-6-12(10-13)16-11-15(21)18(19(22)24-16)25-17-9-4-3-8-14(17)20/h3-10,16,21H,2,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040091
PNG
(CHEMBL3359436)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCOc3ccccc23)C1 |c:1|
Show InChI InChI=1S/C19H15ClO4S/c20-13-6-2-4-8-16(13)25-17-14(21)11-19(24-18(17)22)9-10-23-15-7-3-1-5-12(15)19/h1-8,21H,9-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040091
PNG
(CHEMBL3359436)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCOc3ccccc23)C1 |c:1|
Show InChI InChI=1S/C19H15ClO4S/c20-13-6-2-4-8-16(13)25-17-14(21)11-19(24-18(17)22)9-10-23-15-7-3-1-5-12(15)19/h1-8,21H,9-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040046
PNG
(CHEMBL3358883)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccccn1 |c:1|
Show InChI InChI=1S/C16H12ClNO3S/c17-10-5-1-2-7-14(10)22-15-12(19)9-13(21-16(15)20)11-6-3-4-8-18-11/h1-8,13,19H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040026
PNG
(CHEMBL3358877)
Show SMILES CCOc1ccccc1C1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 |t:13|
Show InChI InChI=1S/C19H17ClO4S/c1-2-23-15-9-5-3-7-12(15)16-11-14(21)18(19(22)24-16)25-17-10-6-4-8-13(17)20/h3-10,16,21H,2,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040039
PNG
(CHEMBL3358871)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1cccc(Cl)c1 |c:1|
Show InChI InChI=1S/C17H12Cl2O3S/c18-11-5-3-4-10(8-11)14-9-13(20)16(17(21)22-14)23-15-7-2-1-6-12(15)19/h1-8,14,20H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040030
PNG
(4-((2-chlorophenyl)thio)-5-hydroxy-1,6-dihydro-[1,...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
Show InChI InChI=1S/C18H15ClO2S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50039989
PNG
(CHEMBL3358862)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccccc1 |c:1|
Show InChI InChI=1S/C17H13ClO3S/c18-12-8-4-5-9-15(12)22-16-13(19)10-14(21-17(16)20)11-6-2-1-3-7-11/h1-9,14,19H,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040031
PNG
(CHEMBL3358863)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)c1ccccc1 |c:1|
Show InChI InChI=1S/C17H14ClNO2S/c18-12-8-4-5-9-15(12)22-16-14(20)10-13(19-17(16)21)11-6-2-1-3-7-11/h1-9,13,20H,10H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040083
PNG
(CHEMBL3359429)
Show SMILES CC1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:4|
Show InChI InChI=1S/C18H15ClO3S/c1-18(12-7-3-2-4-8-12)11-14(20)16(17(21)22-18)23-15-10-6-5-9-13(15)19/h2-10,20H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040041
PNG
(CHEMBL3358873)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1c(Cl)cccc1Cl |c:1|
Show InChI InChI=1S/C17H11Cl3O3S/c18-9-4-1-2-7-14(9)24-16-12(21)8-13(23-17(16)22)15-10(19)5-3-6-11(15)20/h1-7,13,21H,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040038
PNG
(CHEMBL3358870)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccccc1Cl |c:1|
Show InChI InChI=1S/C17H12Cl2O3S/c18-11-6-2-1-5-10(11)14-9-13(20)16(17(21)22-14)23-15-8-4-3-7-12(15)19/h1-8,14,20H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040085
PNG
(CHEMBL3359431)
Show SMILES OCC1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:5|
Show InChI InChI=1S/C18H15ClO4S/c19-13-8-4-5-9-15(13)24-16-14(21)10-18(11-20,23-17(16)22)12-6-2-1-3-7-12/h1-9,20-21H,10-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040087
PNG
(CHEMBL3359432)
Show SMILES NC(=O)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:6|
Show InChI InChI=1S/C18H14ClNO4S/c19-12-8-4-5-9-14(12)25-15-13(21)10-18(17(20)23,24-16(15)22)11-6-2-1-3-7-11/h1-9,21H,10H2,(H2,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040088
PNG
(CHEMBL3359433)
Show SMILES CNC(=O)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:7|
Show InChI InChI=1S/C19H16ClNO4S/c1-21-18(24)19(12-7-3-2-4-8-12)11-14(22)16(17(23)25-19)26-15-10-6-5-9-13(15)20/h2-10,22H,11H2,1H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50039991
PNG
(CHEMBL3358876)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1cccc(c1)C#N |c:1|
Show InChI InChI=1S/C18H12ClNO3S/c19-13-6-1-2-7-16(13)24-17-14(21)9-15(23-18(17)22)12-5-3-4-11(8-12)10-20/h1-8,15,21H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040034
PNG
(CHEMBL3358866)
Show SMILES OC1=C(Oc2ccccc2Cl)C(=O)NC(C1)c1ccccc1 |c:1|
Show InChI InChI=1S/C17H14ClNO3/c18-12-8-4-5-9-15(12)22-16-14(20)10-13(19-17(16)21)11-6-2-1-3-7-11/h1-9,13,20H,10H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040032
PNG
(CHEMBL3358864)
Show SMILES OC1=C(Oc2ccccc2Cl)C(=O)OC(C1)c1ccccc1 |c:1|
Show InChI InChI=1S/C17H13ClO4/c18-12-8-4-5-9-14(12)21-16-13(19)10-15(22-17(16)20)11-6-2-1-3-7-11/h1-9,15,19H,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040084
PNG
(CHEMBL3359430)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(C1CC1)c1ccccc1 |c:1|
Show InChI InChI=1S/C20H17ClO3S/c21-15-8-4-5-9-17(15)25-18-16(22)12-20(14-10-11-14,24-19(18)23)13-6-2-1-3-7-13/h1-9,14,22H,10-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040035
PNG
(CHEMBL3358867)
Show SMILES OC1=C(Nc2ccccc2Cl)C(=O)OC(C1)c1ccccc1 |c:1|
Show InChI InChI=1S/C17H14ClNO3/c18-12-8-4-5-9-13(12)19-16-14(20)10-15(22-17(16)21)11-6-2-1-3-7-11/h1-9,15,19-20H,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040080
PNG
(CHEMBL3358884)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1cccnc1 |c:1|
Show InChI InChI=1S/C16H12ClNO3S/c17-11-5-1-2-6-14(11)22-15-12(19)8-13(21-16(15)20)10-4-3-7-18-9-10/h1-7,9,13,19H,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040040
PNG
(CHEMBL3358872)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccc(Cl)cc1 |c:1|
Show InChI InChI=1S/C17H12Cl2O3S/c18-11-7-5-10(6-8-11)14-9-13(20)16(17(21)22-14)23-15-4-2-1-3-12(15)19/h1-8,14,20H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040042
PNG
(CHEMBL3358874)
Show SMILES Cc1cccc(C)c1C1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 |t:12|
Show InChI InChI=1S/C19H17ClO3S/c1-11-6-5-7-12(2)17(11)15-10-14(21)18(19(22)23-15)24-16-9-4-3-8-13(16)20/h3-9,15,21H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040089
PNG
(CHEMBL3359434)
Show SMILES CN(C)C(=O)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:8|
Show InChI InChI=1S/C20H18ClNO4S/c1-22(2)19(25)20(13-8-4-3-5-9-13)12-15(23)17(18(24)26-20)27-16-11-7-6-10-14(16)21/h3-11,23H,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040036
PNG
(CHEMBL3358868)
Show SMILES OC1=C(Nc2ccccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
Show InChI InChI=1S/C18H16ClNO2/c19-14-8-4-5-9-15(14)20-18-16(21)10-13(11-17(18)22)12-6-2-1-3-7-12/h1-9,13,20-21H,10-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040033
PNG
(CHEMBL3358865)
Show SMILES OC1=C(Oc2ccccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
Show InChI InChI=1S/C18H15ClO3/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040044
PNG
(CHEMBL3358881)
Show SMILES Cn1ccc(n1)C1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 |t:10|
Show InChI InChI=1S/C15H13ClN2O3S/c1-18-7-6-10(17-18)12-8-11(19)14(15(20)21-12)22-13-5-3-2-4-9(13)16/h2-7,12,19H,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040081
PNG
(CHEMBL3358885)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccncc1 |c:1|
Show InChI InChI=1S/C16H12ClNO3S/c17-11-3-1-2-4-14(11)22-15-12(19)9-13(21-16(15)20)10-5-7-18-8-6-10/h1-8,13,19H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040086
PNG
(CHEMBL3352887)
Show SMILES OC(=O)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:6|
Show InChI InChI=1S/C18H13ClO5S/c19-12-8-4-5-9-14(12)25-15-13(20)10-18(17(22)23,24-16(15)21)11-6-2-1-3-7-11/h1-9,20H,10H2,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040090
PNG
(CHEMBL3359435)
Show SMILES CNC(=O)CC1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:8|
Show InChI InChI=1S/C20H18ClNO4S/c1-22-17(24)12-20(13-7-3-2-4-8-13)11-15(23)18(19(25)26-20)27-16-10-6-5-9-14(16)21/h2-10,23H,11-12H2,1H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.90E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040037
PNG
(CHEMBL3358869)
Show SMILES OC1=C(Nc2ccccc2Cl)C(=O)NC(C1)c1ccccc1 |c:1|
Show InChI InChI=1S/C17H15ClN2O2/c18-12-8-4-5-9-13(12)19-16-15(21)10-14(20-17(16)22)11-6-2-1-3-7-11/h1-9,14,19,21H,10H2,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040045
PNG
(CHEMBL3358882)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1cncnc1 |c:1|
Show InChI InChI=1S/C15H11ClN2O3S/c16-10-3-1-2-4-13(10)22-14-11(19)5-12(21-15(14)20)9-6-17-8-18-7-9/h1-4,6-8,12,19H,5H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040043
PNG
(CHEMBL3358875)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccccc1C#N |c:1|
Show InChI InChI=1S/C18H12ClNO3S/c19-13-7-3-4-8-16(13)24-17-14(21)9-15(23-18(17)22)12-6-2-1-5-11(12)10-20/h1-8,15,21H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040028
PNG
(CHEMBL3358879)
Show SMILES CC(C)C1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 |t:6|
Show InChI InChI=1S/C14H15ClO3S/c1-8(2)11-7-10(16)13(14(17)18-11)19-12-6-4-3-5-9(12)15/h3-6,8,11,16H,7H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040029
PNG
(CHEMBL3358880)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)C1CCOCC1 |c:1|
Show InChI InChI=1S/C16H17ClO4S/c17-11-3-1-2-4-14(11)22-15-12(18)9-13(21-16(15)19)10-5-7-20-8-6-10/h1-4,10,13,18H,5-9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%