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SMILES: COc1ccc(Br)cc1C(=O)Nc1nc2ccc(Br)cc2s1

InChI Key: InChIKey=JKGPQGYDLUSSSP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50210342   
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))		BDBM50210342
PNG
(CHEMBL3925434)
Show SMILES COc1ccc(Br)cc1C(=O)Nc1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C15H10Br2N2O2S/c1-21-12-5-3-8(16)6-10(12)14(20)19-15-18-11-4-2-9(17)7-13(11)22-15/h2-7H,1H3,(H,18,19,20)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/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