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PDB code 4AJ2

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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))
BDBM86119
PNG
(LDHA Inhibitor, 14)
Show SMILES Clc1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
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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))
BDBM86119
PNG
(LDHA Inhibitor, 14)
Show SMILES Clc1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem

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AffyNet 
PDB
Article
PubMed
n/an/an/a 4.20E+6n/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