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BDBM50402595 CHEMBL2206160

SMILES: CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2c(F)c(F)c(F)cc2n1C

InChI Key: InChIKey=DTQOJMLSSLJXTO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402595   
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))
BDBM50402595
PNG
(CHEMBL2206160)
Show SMILES CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2c(F)c(F)c(F)cc2n1C |w:2.2|
Show InChI InChI=1S/C22H16F3N3O2/c1-11(17-9-14-18(28(17)2)10-16(23)21(25)20(14)24)26-27-22(30)15-7-12-5-3-4-6-13(12)8-19(15)29/h3-10,29H,1-2H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/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