Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoleucine--tRNA ligase' and Ligand = 'BDBM50524354'   

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
Isoleucine--tRNA ligase (Escherichia coli)	BDBM50524354 (CHEMBL3265243) Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C15H24N4O9S/c1-3-7(2)10(16)13(23)18-29(25,26)27-6-8-11(21)12(22)14(28-8)19-5-4-9(20)17-15(19)24/h4-5,7-8,10-12,14,21-22H,3,6,16H2,1-2H3,(H,18,23)(H,17,20,24)/t7-,8+,10-,11+,12+,14+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of purified Escherichia coli BL21 (DE3) ileRS incubated for 10 mins in presence of 14C-labeled isoleucine by radiolabel transfer assay				Eur J Med Chem 173: 154-166 (2019) Article DOI: 10.1016/j.ejmech.2019.04.003 BindingDB Entry DOI: 10.7270/Q27M0CCG
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