Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'jarvest' and Initial = 'rl'   

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
Tyrosine--tRNA ligase (Staphylococcus aureus)	BDBM18131 (SB-243545 | butyl (2S)-2-[(2S)-2-amino-3-(4-hydrox...) Show SMILES [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)OCCCC)[C@H](O)[C@](O)(CO)[C@@H](O)CN1O |r| Show InChI InChI=1S/C21H33N3O9/c1-2-3-8-33-20(30)16(17-18(28)21(31,11-25)15(27)10-24(17)32)23-19(29)14(22)9-12-4-6-13(26)7-5-12/h4-7,14-18,25-28,31-32H,2-3,8-11,22H2,1H3,(H,23,29)/t14-,15-,16-,17-,18-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.9	37
GSK					Assay Description The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ...				Protein Sci 10: 2008-16 (2001) Article DOI: 10.1110/ps.18001 BindingDB Entry DOI: 10.7270/Q2NG4NXT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM18128 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) Show SMILES [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O |r| Show InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 11: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89BPK
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50097749 (CHEMBL163375 | [2-Amino-3-((S)-4-hydroxy-phenyl)-p...) Show SMILES CCCCOC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C21H32N2O8/c1-3-4-9-30-21(29)15(19-18(27)17(26)16(25)11(2)31-19)23-20(28)14(22)10-12-5-7-13(24)8-6-12/h5-8,11,14-19,24-27H,3-4,9-10,22H2,1-2H3,(H,23,28)/t11-,14+,15+,16+,17+,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay				Bioorg Med Chem Lett 11: 715-8 (2001) BindingDB Entry DOI: 10.7270/Q20C4V1Q
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus)	BDBM18128 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) Show SMILES [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O |r| Show InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.9	37
GSK					Assay Description The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ...				Protein Sci 10: 2008-16 (2001) Article DOI: 10.1110/ps.18001 BindingDB Entry DOI: 10.7270/Q2NG4NXT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50112575 (2-[3-(6,8-Dibromo-1,2,3,4-tetrahydro-quinolin-4-yl...) Show SMILES Oc1cc(NCCCNC2CCNc3c(Br)cc(Br)cc23)nc2ccccc12 Show InChI InChI=1S/C21H22Br2N4O/c22-13-10-15-17(6-9-26-21(15)16(23)11-13)24-7-3-8-25-20-12-19(28)14-4-1-2-5-18(14)27-20/h1-2,4-5,10-12,17,24,26H,3,6-9H2,(H2,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Methionyl-tRNA synthetase in a pyrophosphate exchange assay				J Med Chem 45: 1959-62 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z6X
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50091497 ((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@H]1[C@H](O)[C@@H](O)[C@@H](O)CN1O)C(O)=O Show InChI InChI=1S/C16H23N3O8/c17-9(5-7-1-3-8(20)4-2-7)15(24)18-11(16(25)26)12-14(23)13(22)10(21)6-19(12)27/h1-4,9-14,20-23,27H,5-6,17H2,(H,18,24)(H,25,26)/t9-,10-,11-,12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity of compound against tyrosyl tRNA synthetase from Staphylococcus aureus was determined				Bioorg Med Chem Lett 10: 1811-4 (2000) BindingDB Entry DOI: 10.7270/Q23F4Q5G
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50091497 ((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@H]1[C@H](O)[C@@H](O)[C@@H](O)CN1O)C(O)=O Show InChI InChI=1S/C16H23N3O8/c17-9(5-7-1-3-8(20)4-2-7)15(24)18-11(16(25)26)12-14(23)13(22)10(21)6-19(12)27/h1-4,9-14,20-23,27H,5-6,17H2,(H,18,24)(H,25,26)/t9-,10-,11-,12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay				Bioorg Med Chem Lett 11: 711-4 (2001) BindingDB Entry DOI: 10.7270/Q2445KR1
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM18128 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) Show SMILES [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O |r| Show InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity of compound against tyrosyl tRNA synthetase from Staphylococcus aureus was determined				Bioorg Med Chem Lett 10: 1811-4 (2000) BindingDB Entry DOI: 10.7270/Q23F4Q5G
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50097746 ((S)-[2-Amino-3-((S)-4-hydroxy-phenyl)-propionylami...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C1C(O)[C@]2(O)CO[C@H]([C@H]2O)N1O)C(O)=O Show InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11?,12?,13+,15+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay				Bioorg Med Chem Lett 11: 711-4 (2001) BindingDB Entry DOI: 10.7270/Q2445KR1
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50222703 (CHEMBL160841) Show SMILES Oc1cc(NCCCNCc2cc(Cl)cc(Cl)c2Cl)nc2ccccc12 Show InChI InChI=1S/C19H18Cl3N3O/c20-13-8-12(19(22)15(21)9-13)11-23-6-3-7-24-18-10-17(26)14-4-1-2-5-16(14)25-18/h1-2,4-5,8-10,23H,3,6-7,11H2,(H2,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50222702 (CHEMBL161347) Show SMILES Oc1cc(NCCCNC2CCNc3c(Cl)cc(Br)cc23)nc2ccccc12 Show InChI InChI=1S/C21H22BrClN4O/c22-13-10-15-17(6-9-26-21(15)16(23)11-13)24-7-3-8-25-20-12-19(28)14-4-1-2-5-18(14)27-20/h1-2,4-5,10-12,17,24,26H,3,6-9H2,(H2,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50222705 (CHEMBL161312) Show SMILES CCOc1c(I)cc(I)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C21H23I2N3O2/c1-2-28-21-14(10-15(22)11-17(21)23)13-24-8-5-9-25-20-12-19(27)16-6-3-4-7-18(16)26-20/h3-4,6-7,10-12,24H,2,5,8-9,13H2,1H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50222700 (CHEMBL161864) Show SMILES Oc1cc(NCCCNCc2cc(Br)cc(Br)c2)nc2ccccc12 Show InChI InChI=1S/C19H19Br2N3O/c20-14-8-13(9-15(21)10-14)12-22-6-3-7-23-19-11-18(25)16-4-1-2-5-17(16)24-19/h1-2,4-5,8-11,22H,3,6-7,12H2,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50222701 (CHEMBL158051) Show SMILES Clc1cc(Cl)c2OCCC(NCCCNc3cc(=O)c4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C21H21Cl2N3O2/c22-13-10-15-17(6-9-28-21(15)16(23)11-13)24-7-3-8-25-20-12-19(27)14-4-1-2-5-18(14)26-20/h1-2,4-5,10-12,17,24H,3,6-9H2,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50222699 (CHEMBL161300) Show SMILES Oc1cc(NCCCNC2CCNc3c(Br)cc(Cl)cc23)nc2ccccc12 Show InChI InChI=1S/C21H22BrClN4O/c22-16-11-13(23)10-15-17(6-9-26-21(15)16)24-7-3-8-25-20-12-19(28)14-4-1-2-5-18(14)27-20/h1-2,4-5,10-12,17,24,26H,3,6-9H2,(H2,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50222704 (CHEMBL345835) Show SMILES CCOc1c(CNCCCNc2cc(O)c3ccccc3n2)cc(I)cc1CC=C Show InChI InChI=1S/C24H28IN3O2/c1-3-8-17-13-19(25)14-18(24(17)30-4-2)16-26-11-7-12-27-23-15-22(29)20-9-5-6-10-21(20)28-23/h3,5-6,9-10,13-15,26H,1,4,7-8,11-12,16H2,2H3,(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus)	BDBM18130 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) Show SMILES [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@](O)(CO)[C@@H](O)CN1O |r| Show InChI InChI=1S/C17H25N3O9/c18-10(5-8-1-3-9(22)4-2-8)15(25)19-12(16(26)27)13-14(24)17(28,7-21)11(23)6-20(13)29/h1-4,10-14,21-24,28-29H,5-7,18H2,(H,19,25)(H,26,27)/t10-,11-,12-,13-,14-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.9	37
GSK					Assay Description The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ...				Protein Sci 10: 2008-16 (2001) Article DOI: 10.1110/ps.18001 BindingDB Entry DOI: 10.7270/Q2NG4NXT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124821 (2-[3-(3,5-Dichloro-benzylamino)-propylamino]-1H-qu...) Show SMILES Oc1cc(NCCCNCc2cc(Cl)cc(Cl)c2)nc2ccccc12 Show InChI InChI=1S/C19H19Cl2N3O/c20-14-8-13(9-15(21)10-14)12-22-6-3-7-23-19-11-18(25)16-4-1-2-5-17(16)24-19/h1-2,4-5,8-11,22H,3,6-7,12H2,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124843 (2-[3-(3-Bromo-2-ethoxy-5-methoxy-benzylamino)-prop...) Show SMILES CCOc1c(Br)cc(OC)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H26BrN3O3/c1-3-29-22-15(11-16(28-2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124826 (2-[3-(2-Ethoxy-5-iodo-3-methyl-benzylamino)-propyl...) Show SMILES CCOc1c(C)cc(I)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H26IN3O2/c1-3-28-22-15(2)11-17(23)12-16(22)14-24-9-6-10-25-21-13-20(27)18-7-4-5-8-19(18)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124811 (2-[3-(3-Bromo-5-iodo-benzylamino)-propylamino]-1H-...) Show SMILES Oc1cc(NCCCNCc2cc(Br)cc(I)c2)nc2ccccc12 Show InChI InChI=1S/C19H19BrIN3O/c20-14-8-13(9-15(21)10-14)12-22-6-3-7-23-19-11-18(25)16-4-1-2-5-17(16)24-19/h1-2,4-5,8-11,22H,3,6-7,12H2,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Staphylococcus aureus (strain MW2))	BDBM50149651 (2-[3-(3-Bromo-2-ethoxy-5-methoxy-benzylamino)-prop...) Show SMILES CCOc1c(Br)cc(OC)cc1CNCCCNc1nc2ccsc2c(=O)[nH]1 Show InChI InChI=1S/C19H23BrN4O3S/c1-3-27-16-12(9-13(26-2)10-14(16)20)11-21-6-4-7-22-19-23-15-5-8-28-17(15)18(25)24-19/h5,8-10,21H,3-4,6-7,11H2,1-2H3,(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase				Bioorg Med Chem Lett 14: 3937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.05.070 BindingDB Entry DOI: 10.7270/Q2QC02Z9
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124808 (2-[3-(2-Ethoxy-3-iodo-5-methoxy-benzylamino)-propy...) Show SMILES CCOc1c(I)cc(OC)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H26IN3O3/c1-3-29-22-15(11-16(28-2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50104311 ((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES CCOC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O |c:21| Show InChI InChI=1S/C19H26N2O7/c1-2-28-19(27)15(12-7-8-14(23)17(25)16(12)24)21-18(26)13(20)9-10-3-5-11(22)6-4-10/h3-8,12-17,22-25H,2,9,20H2,1H3,(H,21,26)/t12-,13-,14-,15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 11: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89BPK
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50097748 (CHEMBL351127 | [2-Amino-3-((S)-4-hydroxy-phenyl)-p...) Show SMILES CCCCOC(=O)C(NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](C)O1 Show InChI InChI=1S/C21H32N2O7/c1-3-4-9-29-21(28)18(17-11-16(25)19(26)12(2)30-17)23-20(27)15(22)10-13-5-7-14(24)8-6-13/h5-8,12,15-19,24-26H,3-4,9-11,22H2,1-2H3,(H,23,27)/t12-,15+,16-,17-,18?,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay				Bioorg Med Chem Lett 11: 715-8 (2001) BindingDB Entry DOI: 10.7270/Q20C4V1Q
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Staphylococcus aureus)	BDBM18116 (2-[2-({[(2R)-2-(4-bromothiophen-2-yl)-2-hydroxyeth...) Show SMILES OCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 |r| Show InChI InChI=1S/C15H18BrNO3S/c16-12-7-15(21-10-12)13(19)9-17-8-11-3-1-2-4-14(11)20-6-5-18/h1-4,7,10,13,17-19H,5-6,8-9H2/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	2.0	n/a
GSK					Assay Description The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...				Bioorg Med Chem Lett 15: 2305-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.003 BindingDB Entry DOI: 10.7270/Q25D8Q3C
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Staphylococcus aureus (strain MW2))	BDBM50149623 (CHEMBL424799 | N-(1H-Benzoimidazol-2-yl)-N''-(3-br...) Show SMILES CCOc1c(Br)cc(Cl)cc1CNCCCNc1nc2ccccc2[nH]1 Show InChI InChI=1S/C19H22BrClN4O/c1-2-26-18-13(10-14(21)11-15(18)20)12-22-8-5-9-23-19-24-16-6-3-4-7-17(16)25-19/h3-4,6-7,10-11,22H,2,5,8-9,12H2,1H3,(H2,23,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase				Bioorg Med Chem Lett 14: 3937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.05.070 BindingDB Entry DOI: 10.7270/Q2QC02Z9
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124846 (2-[3-(5,7-Dichloro-1,2,3,4-tetrahydro-naphthalen-1...) Show SMILES Oc1cc(NCCCNC2CCCc3c(Cl)cc(Cl)cc23)nc2ccccc12 Show InChI InChI=1S/C22H23Cl2N3O/c23-14-11-17-15(18(24)12-14)6-3-8-19(17)25-9-4-10-26-22-13-21(28)16-5-1-2-7-20(16)27-22/h1-2,5,7,11-13,19,25H,3-4,6,8-10H2,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124851 (4-Ethoxy-3-methyl-5-{[3-(4-oxo-1,4-dihydro-quinoli...) Show SMILES CCOc1c(C)cc(cc1CNCCCNc1cc(O)c2ccccc2n1)C#N Show InChI InChI=1S/C23H26N4O2/c1-3-29-23-16(2)11-17(14-24)12-18(23)15-25-9-6-10-26-22-13-21(28)19-7-4-5-8-20(19)27-22/h4-5,7-8,11-13,25H,3,6,9-10,15H2,1-2H3,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Staphylococcus aureus (strain MW2))	BDBM50149650 (2-[3-(3,5-Dibromo-benzylamino)-propylamino]-1H-thi...) Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3ccsc3c(=O)[nH]2)c1 Show InChI InChI=1S/C16H16Br2N4OS/c17-11-6-10(7-12(18)8-11)9-19-3-1-4-20-16-21-13-2-5-24-14(13)15(23)22-16/h2,5-8,19H,1,3-4,9H2,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase				Bioorg Med Chem Lett 14: 3937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.05.070 BindingDB Entry DOI: 10.7270/Q2QC02Z9
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124803 (5-Bromo-2-ethoxy-3-{[3-(4-oxo-1,4-dihydro-quinolin...) Show SMILES CCOc1c(CNCCCNc2cc(O)c3ccccc3n2)cc(Br)cc1C#N Show InChI InChI=1S/C22H23BrN4O2/c1-2-29-22-15(13-24)10-17(23)11-16(22)14-25-8-5-9-26-21-12-20(28)18-6-3-4-7-19(18)27-21/h3-4,6-7,10-12,25H,2,5,8-9,14H2,1H3,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Staphylococcus aureus (strain MW2))	BDBM50149646 (5-[3-(3,5-Dibromo-benzylamino)-propylamino]-4H-thi...) Show SMILES Oc1cc(NCCCNCc2cc(Br)cc(Br)c2)nc2ccsc12 Show InChI InChI=1S/C17H17Br2N3OS/c18-12-6-11(7-13(19)8-12)10-20-3-1-4-21-16-9-15(23)17-14(22-16)2-5-24-17/h2,5-9,20H,1,3-4,10H2,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase				Bioorg Med Chem Lett 14: 3937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.05.070 BindingDB Entry DOI: 10.7270/Q2QC02Z9
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM18132 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) Show SMILES [H][C@]1(O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay				Bioorg Med Chem Lett 11: 715-8 (2001) BindingDB Entry DOI: 10.7270/Q20C4V1Q
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus)	BDBM18132 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) Show SMILES [H][C@]1(O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.9	37
GSK					Assay Description The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ...				Protein Sci 10: 2008-16 (2001) Article DOI: 10.1110/ps.18001 BindingDB Entry DOI: 10.7270/Q2NG4NXT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124825 (2-[3-(2-Ethoxy-3-hydroxymethyl-5-iodo-benzylamino)...) Show SMILES CCOc1c(CO)cc(I)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H26IN3O3/c1-2-29-22-15(10-17(23)11-16(22)14-27)13-24-8-5-9-25-21-12-20(28)18-6-3-4-7-19(18)26-21/h3-4,6-7,10-12,24,27H,2,5,8-9,13-14H2,1H3,(H2,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124854 (2-[3-(3-Chloro-2-ethoxy-5-methoxy-benzylamino)-pro...) Show SMILES CCOc1c(Cl)cc(OC)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H26ClN3O3/c1-3-29-22-15(11-16(28-2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124835 (2-[3-(6-Bromo-8-ethyl-1,2,3,4-tetrahydro-quinolin-...) Show SMILES CCc1cc(Br)cc2C(CCNc12)NCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C23H27BrN4O/c1-2-15-12-16(24)13-18-19(8-11-27-23(15)18)25-9-5-10-26-22-14-21(29)17-6-3-4-7-20(17)28-22/h3-4,6-7,12-14,19,25,27H,2,5,8-11H2,1H3,(H2,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124817 (2-[3-(3,5-Dibromo-2-ethoxy-benzylamino)-propylamin...) Show SMILES CCOc1c(Br)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C21H23Br2N3O2/c1-2-28-21-14(10-15(22)11-17(21)23)13-24-8-5-9-25-20-12-19(27)16-6-3-4-7-18(16)26-20/h3-4,6-7,10-12,24H,2,5,8-9,13H2,1H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Arginine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50091515 (Aminoalkyl adenylate and aminoacyl sulfamate analo...) Show SMILES N[C@@H](CCCNC(N)=[NH2+])C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C16H26N10O7S/c17-7(2-1-3-21-16(19)20)14(29)25-34(30,31)32-4-8-10(27)11(28)15(33-8)26-6-24-9-12(18)22-5-23-13(9)26/h5-8,10-11,15,27-28H,1-4,17H2,(H,25,29)(H2,18,22,23)(H4,19,20,21)/p+1/t7-,8+,10+,11+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against cognate Staphylococcus aureus Arginyl-tRNA synthetase				Bioorg Med Chem Lett 10: 1871-4 (2000) BindingDB Entry DOI: 10.7270/Q2TX3FWJ
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124824 (3-Bromo-4-ethoxy-5-{[3-(4-oxo-1,4-dihydro-quinolin...) Show SMILES CCOc1c(Br)cc(cc1CNCCCNc1cc(O)c2ccccc2n1)C#N Show InChI InChI=1S/C22H23BrN4O2/c1-2-29-22-16(10-15(13-24)11-18(22)23)14-25-8-5-9-26-21-12-20(28)17-6-3-4-7-19(17)27-21/h3-4,6-7,10-12,25H,2,5,8-9,14H2,1H3,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124813 (2-[3-(3-Bromo-2-ethoxy-5-methylsulfanyl-benzylamin...) Show SMILES CCOc1c(Br)cc(SC)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H26BrN3O2S/c1-3-28-22-15(11-16(29-2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Staphylococcus aureus (strain MW2))	BDBM50149649 (2-[3-(3,5-Dibromo-2-ethoxy-benzylamino)-propylamin...) Show SMILES CCOc1c(Br)cc(Br)cc1CNCCCNc1nc2ccsc2c(=O)[nH]1 Show InChI InChI=1S/C18H20Br2N4O2S/c1-2-26-15-11(8-12(19)9-13(15)20)10-21-5-3-6-22-18-23-14-4-7-27-16(14)17(25)24-18/h4,7-9,21H,2-3,5-6,10H2,1H3,(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase				Bioorg Med Chem Lett 14: 3937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.05.070 BindingDB Entry DOI: 10.7270/Q2QC02Z9
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124800 (2-[3-(3-Bromo-2-ethoxy-5-methyl-benzylamino)-propy...) Show SMILES CCOc1c(Br)cc(C)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H26BrN3O2/c1-3-28-22-16(11-15(2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Staphylococcus aureus (strain MW2))	BDBM50149630 (CHEMBL182960 | N-(3,5-Dibromo-benzyl)-N''-(1H-imid...) Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3ncccc3[nH]2)c1 Show InChI InChI=1S/C16H17Br2N5/c17-12-7-11(8-13(18)9-12)10-19-4-2-6-21-16-22-14-3-1-5-20-15(14)23-16/h1,3,5,7-9,19H,2,4,6,10H2,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase				Bioorg Med Chem Lett 14: 3937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.05.070 BindingDB Entry DOI: 10.7270/Q2QC02Z9
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124801 (2-[3-(4,6-Dichloro-indan-1-ylamino)-propylamino]-1...) Show SMILES Oc1cc(NCCCNC2CCc3c2cc(Cl)cc3Cl)nc2ccccc12 Show InChI InChI=1S/C21H21Cl2N3O/c22-13-10-16-14(17(23)11-13)6-7-18(16)24-8-3-9-25-21-12-20(27)15-4-1-2-5-19(15)26-21/h1-2,4-5,10-12,18,24H,3,6-9H2,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124857 (2-[3-(2-Ethoxy-3-methyl-5-methylsulfanyl-benzylami...) Show SMILES CCOc1c(C)cc(SC)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C23H29N3O2S/c1-4-28-23-16(2)12-18(29-3)13-17(23)15-24-10-7-11-25-22-14-21(27)19-8-5-6-9-20(19)26-22/h5-6,8-9,12-14,24H,4,7,10-11,15H2,1-3H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124850 (2-[3-(5-Bromo-2-ethoxy-3-methyl-benzylamino)-propy...) Show SMILES CCOc1c(C)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H26BrN3O2/c1-3-28-22-15(2)11-17(23)12-16(22)14-24-9-6-10-25-21-13-20(27)18-7-4-5-8-19(18)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124819 (2-[3-(5-Bromo-2-ethoxy-3-iodo-benzylamino)-propyla...) Show SMILES CCOc1c(I)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C21H23BrIN3O2/c1-2-28-21-14(10-15(22)11-17(21)23)13-24-8-5-9-25-20-12-19(27)16-6-3-4-7-18(16)26-20/h3-4,6-7,10-12,24H,2,5,8-9,13H2,1H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124852 (2-[3-(5,7-Dichloro-2,3-dihydro-benzofuran-3-ylamin...) Show SMILES Oc1cc(NCCCNC2COc3c2cc(Cl)cc3Cl)nc2ccccc12 Show InChI InChI=1S/C20H19Cl2N3O2/c21-12-8-14-17(11-27-20(14)15(22)9-12)23-6-3-7-24-19-10-18(26)13-4-1-2-5-16(13)25-19/h1-2,4-5,8-10,17,23H,3,6-7,11H2,(H2,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay				Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Staphylococcus aureus (strain MW2))	BDBM50149643 (6-[3-(3,5-Dibromo-benzylamino)-propylamino]-7H-thi...) Show SMILES Oc1cc(NCCCNCc2cc(Br)cc(Br)c2)nc2sccc12 Show InChI InChI=1S/C17H17Br2N3OS/c18-12-6-11(7-13(19)8-12)10-20-3-1-4-21-16-9-15(23)14-2-5-24-17(14)22-16/h2,5-9,20H,1,3-4,10H2,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase				Bioorg Med Chem Lett 14: 3937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.05.070 BindingDB Entry DOI: 10.7270/Q2QC02Z9
					More data for this Ligand-Target Pair

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