Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isoleucine--tRNA ligase' and Ligand = 'BDBM50524451'   

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)	BDBM50524451 (CHEMBL4553017) Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H27N7O6S/c1-3-8(2)10(18)16(27)23-31(28,29)5-4-9-12(25)13(26)17(30-9)24-7-22-11-14(19)20-6-21-15(11)24/h6-10,12-13,17,25-26H,3-5,18H2,1-2H3,(H,23,27)(H2,19,20,21)/t8-,9+,10-,12+,13+,17+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	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 recombinant Escherichia coli BL21(DE3) isoleucyl-tRNA synthetase expressed in Escherichia coli Rosetta 2 (DE3) assessed as reduction in...				Eur J Med Chem 174: 252-264 (2019) Article DOI: 10.1016/j.ejmech.2019.04.045 BindingDB Entry DOI: 10.7270/Q26M3B73
					More data for this Ligand-Target Pair
Isoleucine--tRNA ligase (Escherichia coli)	BDBM50524451 (CHEMBL4553017) Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H27N7O6S/c1-3-8(2)10(18)16(27)23-31(28,29)5-4-9-12(25)13(26)17(30-9)24-7-22-11-14(19)20-6-21-15(11)24/h6-10,12-13,17,25-26H,3-5,18H2,1-2H3,(H,23,27)(H2,19,20,21)/t8-,9+,10-,12+,13+,17+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli BL21(DE3) isoleucyl-tRNA synthetase expressed in Escherichia coli Rosetta 2 (DE3) assessed as reduction in...				Eur J Med Chem 174: 252-264 (2019) Article DOI: 10.1016/j.ejmech.2019.04.045 BindingDB Entry DOI: 10.7270/Q26M3B73
					More data for this Ligand-Target Pair