Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Valine--tRNA ligase'   

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
Valine--tRNA ligase (Homo sapiens (Human))	BDBM50093001 ((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-3-methyl-butyryl...) Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:25| Show InChI InChI=1S/C18H29N5O8S/c1-8(2)14(19)16(27)22-32(30,31)7-13(25)21-18(17(28)29)11-6-23(3)5-10(15(20)26)9(11)4-12(18)24/h5,8-9,11-12,14,24H,4,6-7,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)(H,28,29)/t9-,11+,12-,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against VRS (valyl tRNA synthetase) from staphylococcus aureus WCUH29				Bioorg Med Chem Lett 10: 2263-6 (2001) BindingDB Entry DOI: 10.7270/Q2PN94W3
					More data for this Ligand-Target Pair
Valine--tRNA ligase (Homo sapiens (Human))	BDBM50093003 ((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...) Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:26| Show InChI InChI=1S/C19H31N5O8S/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against VRS (valyl tRNA synthetase) from staphylococcus aureus WCUH29				Bioorg Med Chem Lett 10: 2263-6 (2001) BindingDB Entry DOI: 10.7270/Q2PN94W3
					More data for this Ligand-Target Pair
Valine--tRNA ligase (Homo sapiens (Human))	BDBM50093005 ((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-4-methyl-pentano...) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:26| Show InChI InChI=1S/C19H31N5O8S/c1-9(2)4-13(20)17(28)23-33(31,32)8-15(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-14(19)25/h6,9-10,12-14,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t10-,12+,13-,14-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against VRS (valyl tRNA synthetase) from staphylococcus aureus WCUH29				Bioorg Med Chem Lett 10: 2263-6 (2001) BindingDB Entry DOI: 10.7270/Q2PN94W3
					More data for this Ligand-Target Pair