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PDB code 4AJE

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits 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

  (331/331 = 100%)
(Rattus norvegicus (Rat))
BDBM86124
PNG
(LDHA Inhibitor, 20)
Show SMILES OC(=O)C(Oc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A

  (331/331 = 100%)
(Rattus norvegicus (Rat))
BDBM86124
PNG
(LDHA Inhibitor, 20)
Show SMILES OC(=O)C(Oc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/a 2.10E+5n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase A

  (331/331 = 100%)
(Rattus norvegicus (Rat))
BDBM86124
PNG
(LDHA Inhibitor, 20)
Show SMILES OC(=O)C(Oc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/a 4.70E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output