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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A chain' and Ligand = 'BDBM50524652'   
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))
BDBM50524652
PNG
(CHEMBL4556559)
Show SMILES O=C(CCC1CCCCC1)N1CCN(CC1)c1ncnc2n(Cc3ccccc3)nnc12
Show InChI InChI=1S/C24H31N7O/c32-21(12-11-19-7-3-1-4-8-19)29-13-15-30(16-14-29)23-22-24(26-18-25-23)31(28-27-22)17-20-9-5-2-6-10-20/h2,5-6,9-10,18-19H,1,3-4,7-8,11-17H2
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.14E+3n/an/an/an/a



Hubei University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...


Eur J Med Chem 177: 105-115 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.033
BindingDB Entry DOI: 10.7270/Q2HX1H3H
More data for this
Ligand-Target Pair