Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Leucine--tRNA ligase' and Ligand = 'BDBM50286766'   

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
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286766 (CHEMBL4163450) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)nc(N)n1 |r| Show InChI InChI=1S/C17H23N5O3S/c1-10(2)7-14(18)16(23)22-26(24,25)13-6-4-5-12(9-13)15-8-11(3)20-17(19)21-15/h4-6,8-10,14H,7,18H2,1-3H3,(H,22,23)(H2,19,20,21)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Staphylococcus aureus (strain NCTC 8325))	BDBM50286766 (CHEMBL4163450) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)nc(N)n1 |r| Show InChI InChI=1S/C17H23N5O3S/c1-10(2)7-14(18)16(23)22-26(24,25)13-6-4-5-12(9-13)15-8-11(3)20-17(19)21-15/h4-6,8-10,14H,7,18H2,1-3H3,(H,22,23)(H2,19,20,21)/t14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286766 (CHEMBL4163450) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)nc(N)n1 |r| Show InChI InChI=1S/C17H23N5O3S/c1-10(2)7-14(18)16(23)22-26(24,25)13-6-4-5-12(9-13)15-8-11(3)20-17(19)21-15/h4-6,8-10,14H,7,18H2,1-3H3,(H,22,23)(H2,19,20,21)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Displacement of IK-698 from Escherichia coli LeuRS by isothermal titration calorimetric calorimetry				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair