Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isoleucine--tRNA ligase' and Ligand = 'BDBM50470914'   

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 (Staphylococcus aureus)	BDBM50470914 (CHEMBL120343) Show SMILES [H][C@]1(O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\c2ncc(o2)-c2ccc(s2)[N+]([O-])=O)[C@H](O)[C@@H]1O)[C@@H](C)[C@H](C)O Show InChI InChI=1S/C23H30N2O8S/c1-11(7-19-24-9-17(32-19)18-4-5-20(34-18)25(29)30)6-15-22(28)21(27)14(10-31-15)8-16-23(33-16)12(2)13(3)26/h4-5,7,9,12-16,21-23,26-28H,6,8,10H2,1-3H3/b11-7+/t12-,13-,14-,15-,16-,21+,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.67	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against isoleucyl-tRNA synthetase (IRS) of Staphylococcus aureus NCTC 3571				J Med Chem 39: 3596-600 (1996) Article DOI: 10.1021/jm950882q BindingDB Entry DOI: 10.7270/Q2TX3J3G
					More data for this Ligand-Target Pair
Isoleucine--tRNA ligase (Staphylococcus aureus)	BDBM50470914 (CHEMBL120343) Show SMILES [H][C@]1(O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\c2ncc(o2)-c2ccc(s2)[N+]([O-])=O)[C@H](O)[C@@H]1O)[C@@H](C)[C@H](C)O Show InChI InChI=1S/C23H30N2O8S/c1-11(7-19-24-9-17(32-19)18-4-5-20(34-18)25(29)30)6-15-22(28)21(27)14(10-31-15)8-16-23(33-16)12(2)13(3)26/h4-5,7,9,12-16,21-23,26-28H,6,8,10H2,1-3H3/b11-7+/t12-,13-,14-,15-,16-,21+,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against isoleucyl-tRNA synthetase (IRS) of Staphylococcus aureus 11481				J Med Chem 39: 3596-600 (1996) Article DOI: 10.1021/jm950882q BindingDB Entry DOI: 10.7270/Q2TX3J3G
					More data for this Ligand-Target Pair