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BDBM50402604 CHEMBL2206144

SMILES: CCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C

InChI Key: InChIKey=SYKROELTMNORDZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402604   
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))
BDBM50402604
PNG
(CHEMBL2206144)
Show SMILES CCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C |w:3.3|
Show InChI InChI=1S/C19H18BrN3O2/c1-3-15(17-10-12-6-4-5-7-16(12)23(17)2)21-22-19(25)14-11-13(20)8-9-18(14)24/h4-11,24H,3H2,1-2H3,(H,22,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 461n/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