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BDBM50222704 CHEMBL345835

SMILES: CCOc1c(CNCCCNc2cc(O)c3ccccc3n2)cc(I)cc1CC=C

InChI Key: InChIKey=YRLPKKMANLIVEK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50222704   
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
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))		BDBM50222704
PNG
(CHEMBL345835)
Show SMILES CCOc1c(CNCCCNc2cc(O)c3ccccc3n2)cc(I)cc1CC=C
Show InChI InChI=1S/C24H28IN3O2/c1-3-8-17-13-19(25)14-18(24(17)30-4-2)16-26-11-7-12-27-23-15-22(29)20-9-5-6-10-21(20)28-23/h3,5-6,9-10,13-15,26H,1,4,7-8,11-12,16H2,2H3,(H2,27,28,29)
PDB
MMDB

KEGG

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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a<3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay

Bioorg Med Chem Lett 13: 665-8 (2003)


BindingDB Entry DOI: 10.7270/Q2KP81JD
More data for this
Ligand-Target Pair