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BDBM50402616 CHEMBL2206175

SMILES: CCOCOc1ccccc1C(=O)NN=C(C)c1cc2cc(Br)ccc2[nH]1

InChI Key: InChIKey=GJYBELLTVXOORM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402616   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50402616
PNG
(CHEMBL2206175)
Show SMILES CCOCOc1ccccc1C(=O)NN=C(C)c1cc2cc(Br)ccc2[nH]1 |w:14.14|
Show InChI InChI=1S/C20H20BrN3O3/c1-3-26-12-27-19-7-5-4-6-16(19)20(25)24-23-13(2)18-11-14-10-15(21)8-9-17(14)22-18/h4-11,22H,3,12H2,1-2H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay


Bioorg Med Chem 20: 7069-82 (2012)


Article DOI: 10.1016/j.bmc.2012.10.002
BindingDB Entry DOI: 10.7270/Q2NZ88ST
More data for this
Ligand-Target Pair