Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine--tRNA ligase' and Ligand = 'BDBM199131'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199131 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-f...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(F)cc2)n(n1)-c1ccc(C)cc1)[N+]([O-])=O Show InChI InChI=1S/C23H20FN5O4/c1-15-3-9-19(10-4-15)28-21(17-5-7-18(24)8-6-17)13-20(26-28)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/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	7.9	n/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
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