Found 11 hits Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A chain' and Ligand = 'BDBM50103568' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50103568
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of LDHA (unknown origin) |
Bioorg Med Chem Lett 24: 4915-25 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.041
BindingDB Entry DOI: 10.7270/Q25Q4XV9 |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50103568
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of LDHA (unknown origin) |
Bioorg Med Chem Lett 24: 4915-25 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.041
BindingDB Entry DOI: 10.7270/Q25Q4XV9 |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50103568
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute-CRO
Curated by ChEMBL
| Assay Description
Competitive inhibition of human LDH5 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 A chain
(Homo sapiens (Human)) | BDBM50103568
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of recombinant human LDHA in the presence of NADH by resazurin dye reduction method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00196
BindingDB Entry DOI: 10.7270/Q2V128MV |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50103568
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50103568
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Inhibition of LDH in human MIAPaCa2 cells assessed as reduction in lactate production preincubated for 2 hrs measured after 30 mins by high throughpu... |
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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Inhibition of LDH in human A673 cells assessed as reduction in lactate production preincubated for 2 hrs measured after 30 mins by high throughput fl... |
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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/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)) | BDBM50103568
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged LDHA in absence 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)) | BDBM50103568
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.18E+3 | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a... |
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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