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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 = 'BDBM11273'   
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))
BDBM11273
PNG
(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...)
Show SMILES COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C20H17N5O5S2/c1-30-14-4-2-3-12(9-14)18-16(10-21)19(27)25-20(24-18)31-11-17(26)23-13-5-7-15(8-6-13)32(22,28)29/h2-9H,11H2,1H3,(H,23,26)(H2,22,28,29)(H,24,25,27)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.24E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM11273
PNG
(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...)
Show SMILES COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C20H17N5O5S2/c1-30-14-4-2-3-12(9-14)18-16(10-21)19(27)25-20(24-18)31-11-17(26)23-13-5-7-15(8-6-13)32(22,28)29/h2-9H,11H2,1H3,(H,23,26)(H2,22,28,29)(H,24,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.84E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...


Bioorg Med Chem Lett 23: 3186-94 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair