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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pyruvate kinase' and Ligand = 'BDBM50210339'   
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
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210339
PNG
(CHEMBL3952026)
Show SMILES Oc1ccc(Br)cc1C(=O)Nc1nc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C14H9Br2N3O2/c15-7-2-4-12(20)9(5-7)13(21)19-14-17-10-3-1-8(16)6-11(10)18-14/h1-6,20H,(H2,17,18,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair