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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A chain' and Ligand = 'BDBM536955'   
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))
BDBM536955
PNG
(US11247971, Cmpd ID 278)
Show SMILES COc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM536955
PNG
(US11247971, Cmpd ID 278)
Show SMILES COc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair