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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pyruvate kinase' and Ligand = 'BDBM50210456'   
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))
BDBM50210456
PNG
(CHEMBL3945342)
Show SMILES Oc1cc(Br)ccc1C(=O)\C=C\c1cc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C17H11Br2NO2/c18-11-2-1-10-7-13(20-15(10)8-11)4-6-16(21)14-5-3-12(19)9-17(14)22/h1-9,20,22H/b6-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 132n/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