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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A' and Ligand = 'BDBM86129'   
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


(Rattus norvegicus (Rat))
BDBM86129
PNG
(LDHA Inhibitor, 25)
Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>5.00E+5n/an/an/an/a7.521



AstraZeneca



Assay Description
Enzyme assay using lactate dehydrogenase A (LDHA).


J Med Chem 55: 3285-306 (2012)


Article DOI: 10.1021/jm201734r
BindingDB Entry DOI: 10.7270/Q21J9896
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A


(Rattus norvegicus (Rat))
BDBM86129
PNG
(LDHA Inhibitor, 25)
Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 1.10E+6n/an/an/a7.4n/a



AstraZeneca



Assay Description
A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format.


J Med Chem 55: 3285-306 (2012)


Article DOI: 10.1021/jm201734r
BindingDB Entry DOI: 10.7270/Q21J9896
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A


(Rattus norvegicus (Rat))
BDBM86129
PNG
(LDHA Inhibitor, 25)
Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 2.40E+5n/an/an/a7.5n/a



AstraZeneca



Assay Description
NMR spectra were acquired on Bruker Avance 600 MHz spectrometers at 298 K using a 5 mm triple-resonance HCN cryoprobe. Ligand binding was detected u...


J Med Chem 55: 3285-306 (2012)


Article DOI: 10.1021/jm201734r
BindingDB Entry DOI: 10.7270/Q21J9896
More data for this
Ligand-Target Pair