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SMILES: Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2C)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O

InChI Key: InChIKey=PDTUAEDDMFXXHY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 199145   
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
Tyrosine--tRNA ligase


(Staphylococcus aureus (strain MSSA476))		BDBM199145
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2C)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H20ClN5O4/c1-15-5-3-4-6-19(15)21-13-20(26-28(21)18-9-7-17(24)8-10-18)23(30)33-12-11-27-16(2)25-14-22(27)29(31)32/h3-10,13-14H,11-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.11E+3n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...

Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair