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SMILES: CCc1cc(I)c2NCCC(NCCCNc3nc4ccccc4c(=O)[nH]3)c2c1

InChI Key: InChIKey=SFIPHHPETJSJIE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50149615   
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
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))		BDBM50149615
PNG
(2-[3-(6-Ethyl-8-iodo-1,2,3,4-tetrahydro-quinolin-4...)
Show SMILES CCc1cc(I)c2NCCC(NCCCNc3nc4ccccc4c(=O)[nH]3)c2c1
Show InChI InChI=1S/C22H26IN5O/c1-2-14-12-16-18(8-11-25-20(16)17(23)13-14)24-9-5-10-26-22-27-19-7-4-3-6-15(19)21(29)28-22/h3-4,6-7,12-13,18,24-25H,2,5,8-11H2,1H3,(H2,26,27,28,29)
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase

Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair