Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'houge-frydrych' and Initial = 'cs'   

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 (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)
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))	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
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))	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))	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))	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 (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
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
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))	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 (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
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 (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 (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 (Escherichia coli (strain K12))	BDBM50124827 (2-[3-(3,5-Diiodo-benzylamino)-propylamino]-1H-quin...) Show SMILES Oc1cc(NCCCNCc2cc(I)cc(I)c2)nc2ccccc12 Show InChI InChI=1S/C19H19I2N3O/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	6.40	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
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124858 (2-[3-(2-Ethoxy-3-methyl-5-trifluoromethyl-benzylam...) Show SMILES CCOc1c(C)cc(cc1CNCCCNc1cc(O)c2ccccc2n1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O2/c1-3-31-22-15(2)11-17(23(24,25)26)12-16(22)14-27-9-6-10-28-21-13-20(30)18-7-4-5-8-19(18)29-21/h4-5,7-8,11-13,27H,3,6,9-10,14H2,1-2H3,(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80	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))	BDBM50124810 (2-[3-(5-Chloro-2-ethoxy-3-methyl-benzylamino)-prop...) Show SMILES CCOc1c(C)cc(Cl)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H26ClN3O2/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	6.80	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))	BDBM50124830 (2-[3-(2-Allyloxy-3,5-dichloro-benzylamino)-propyla...) Show SMILES Oc1cc(NCCCNCc2cc(Cl)cc(Cl)c2OCC=C)nc2ccccc12 Show InChI InChI=1S/C22H23Cl2N3O2/c1-2-10-29-22-15(11-16(23)12-18(22)24)14-25-8-5-9-26-21-13-20(28)17-6-3-4-7-19(17)27-21/h2-4,6-7,11-13,25H,1,5,8-10,14H2,(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	7.20	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))	BDBM50124844 (2-[3-(2-Ethoxy-3-iodo-5-methyl-benzylamino)-propyl...) Show SMILES CCOc1c(I)cc(C)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H26IN3O2/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	7.20	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))	BDBM50124802 (2-(3-(6,8-dibromo-3,4-dihydro-2H-chromen-4-ylamino...) Show SMILES Oc1cc(NCCCNC2CCOc3c(Br)cc(Br)cc23)nc2ccccc12 Show InChI InChI=1S/C21H21Br2N3O2/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	PubMed	n/a	n/a	7.80	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))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	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))	BDBM50124848 (2-[3-(8-Bromo-6-methyl-1,2,3,4-tetrahydro-quinolin...) Show SMILES Cc1cc(Br)c2NCCC(NCCCNc3cc(O)c4ccccc4n3)c2c1 Show InChI InChI=1S/C22H25BrN4O/c1-14-11-16-18(7-10-26-22(16)17(23)12-14)24-8-4-9-25-21-13-20(28)15-5-2-3-6-19(15)27-21/h2-3,5-6,11-13,18,24,26H,4,7-10H2,1H3,(H2,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	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))	BDBM50124798 (2-[3-(3-Bromo-2-ethoxy-5-iodo-benzylamino)-propyla...) Show SMILES CCOc1c(Br)cc(I)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C21H23BrIN3O2/c1-2-28-21-14(10-15(23)11-17(21)22)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	8.80	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))	BDBM50124859 (2-[3-(2,5-Dichloro-benzylamino)-propylamino]-1H-qu...) Show SMILES Oc1cc(NCCCNCc2cc(Cl)ccc2Cl)nc2ccccc12 Show InChI InChI=1S/C19H19Cl2N3O/c20-14-6-7-16(21)13(10-14)12-22-8-3-9-23-19-11-18(25)15-4-1-2-5-17(15)24-19/h1-2,4-7,10-11,22H,3,8-9,12H2,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	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))	BDBM50124855 (2-[3-(2-Amino-3,5-dibromo-benzylamino)-propylamino...) Show SMILES Nc1c(Br)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C19H20Br2N4O/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,3,6-7,11,22H2,(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	9.10	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))	BDBM50124829 (2-[3-(6-Chloro-8-iodo-chroman-4-ylamino)-propylami...) Show SMILES Oc1cc(NCCCNC2CCOc3c(I)cc(Cl)cc23)nc2ccccc12 Show InChI InChI=1S/C21H21ClIN3O2/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	9.40	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
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124828 (2-[3-(2-Ethoxy-5-iodo-3-methoxymethyl-benzylamino)...) Show SMILES CCOc1c(CNCCCNc2cc(O)c3ccccc3n2)cc(I)cc1COC Show InChI InChI=1S/C23H28IN3O3/c1-3-30-23-16(11-18(24)12-17(23)15-29-2)14-25-9-6-10-26-22-13-21(28)19-7-4-5-8-20(19)27-22/h4-5,7-8,11-13,25H,3,6,9-10,14-15H2,1-2H3,(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	9.40	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
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124840 (2-[3-(6-Bromo-8-methyl-1,2,3,4-tetrahydro-quinolin...) Show SMILES Cc1cc(Br)cc2C(CCNc12)NCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H25BrN4O/c1-14-11-15(23)12-17-18(7-10-26-22(14)17)24-8-4-9-25-21-13-20(28)16-5-2-3-6-19(16)27-21/h2-3,5-6,11-13,18,24,26H,4,7-10H2,1H3,(H2,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.40	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
Methionine--tRNA ligase (Escherichia coli (strain K12))	BDBM50124805 (2-[3-(3,5-Dibromo-2-methylamino-benzylamino)-propy...) Show SMILES CNc1c(Br)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C20H22Br2N4O/c1-23-20-13(9-14(21)10-16(20)22)12-24-7-4-8-25-19-11-18(27)15-5-2-3-6-17(15)26-19/h2-3,5-6,9-11,23-24H,4,7-8,12H2,1H3,(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	11	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))	BDBM50124845 (2-{3-[3,5-Dibromo-2-(2,2,2-trifluoro-ethoxy)-benzy...) Show SMILES Oc1cc(NCCCNCc2cc(Br)cc(Br)c2OCC(F)(F)F)nc2ccccc12 Show InChI InChI=1S/C21H20Br2F3N3O2/c22-14-8-13(20(16(23)9-14)31-12-21(24,25)26)11-27-6-3-7-28-19-10-18(30)15-4-1-2-5-17(15)29-19/h1-2,4-5,8-10,27H,3,6-7,11-12H2,(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	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))	BDBM50124831 (2-[3-(2-Ethoxy-5-iodo-3-methoxy-benzylamino)-propy...) Show SMILES CCOc1c(CNCCCNc2cc(O)c3ccccc3n2)cc(I)cc1OC Show InChI InChI=1S/C22H26IN3O3/c1-3-29-22-15(11-16(23)12-20(22)28-2)14-24-9-6-10-25-21-13-19(27)17-7-4-5-8-18(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	12	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

Displayed 1 to 50 (of 85 total )  |  Next  |  Last  >>

Jump to: