Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 7517   

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 (strain MSSA476))	BDBM199134 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-m...) Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C23H21N5O5/c1-16-24-15-22(28(30)31)26(16)12-13-33-23(29)20-14-21(17-8-10-19(32-2)11-9-17)27(25-20)18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199139 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...) Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C23H20ClN5O5/c1-15-25-14-22(29(31)32)27(15)11-12-34-23(30)20-13-21(16-3-9-19(33-2)10-4-16)28(26-20)18-7-5-17(24)6-8-18/h3-10,13-14H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199144 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-phen...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2C)n(n1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C23H21N5O4/c1-16-8-6-7-11-19(16)21-14-20(25-27(21)18-9-4-3-5-10-18)23(29)32-13-12-26-17(2)24-15-22(26)28(30)31/h3-11,14-15H,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.55E+3	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199145 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2C)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C23H20ClN5O4/c1-15-5-3-4-6-19(15)21-13-20(26-28(21)18-9-7-17(24)8-10-18)23(30)33-12-11-27-16(2)25-14-22(27)29(31)32/h3-10,13-14H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.11E+3	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199129 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-m...) Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(C)cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C24H23N5O5/c1-16-4-8-19(9-5-16)28-22(18-6-10-20(33-3)11-7-18)14-21(26-28)24(30)34-13-12-27-17(2)25-15-23(27)29(31)32/h4-11,14-15H,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199143 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(I)cc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H17ClIN5O4/c1-14-25-13-21(29(31)32)27(14)10-11-33-22(30)19-12-20(15-2-6-17(24)7-3-15)28(26-19)18-8-4-16(23)5-9-18/h2-9,12-13H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199147 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H18ClN5O4/c1-15-24-14-21(28(30)31)26(15)11-12-32-22(29)19-13-20(16-5-3-2-4-6-16)27(25-19)18-9-7-17(23)8-10-18/h2-10,13-14H,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199140 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(C)cc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C23H20ClN5O4/c1-15-3-5-17(6-4-15)21-13-20(26-28(21)19-9-7-18(24)8-10-19)23(30)33-12-11-27-16(2)25-14-22(27)29(31)32/h3-10,13-14H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199137 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-c...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C22H18ClN5O4/c1-15-24-14-21(28(30)31)26(15)11-12-32-22(29)19-13-20(16-7-9-17(23)10-8-16)27(25-19)18-5-3-2-4-6-18/h2-10,13-14H,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199150 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-phen...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2cccc(C)c2)n(n1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C23H21N5O4/c1-16-7-6-8-18(13-16)21-14-20(25-27(21)19-9-4-3-5-10-19)23(29)32-12-11-26-17(2)24-15-22(26)28(30)31/h3-10,13-15H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199151 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2cccc(C)c2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C23H20ClN5O4/c1-15-4-3-5-17(12-15)21-13-20(26-28(21)19-8-6-18(24)7-9-19)23(30)33-11-10-27-16(2)25-14-22(27)29(31)32/h3-9,12-14H,10-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199130 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1,5-di...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(C)cc2)n(n1)-c1ccc(C)cc1)[N+]([O-])=O Show InChI InChI=1S/C24H23N5O4/c1-16-4-8-19(9-5-16)22-14-21(26-28(22)20-10-6-17(2)7-11-20)24(30)33-13-12-27-18(3)25-15-23(27)29(31)32/h4-11,14-15H,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199138 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-i...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(I)cc2)n(n1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C22H18IN5O4/c1-15-24-14-21(28(30)31)26(15)11-12-32-22(29)19-13-20(16-7-9-17(23)10-8-16)27(25-19)18-5-3-2-4-6-18/h2-10,13-14H,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.67E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199133 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-i...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(I)cc2)n(n1)-c1ccc(C)cc1)[N+]([O-])=O Show InChI InChI=1S/C23H20IN5O4/c1-15-3-9-19(10-4-15)28-21(17-5-7-18(24)8-6-17)13-20(26-28)23(30)33-12-11-27-16(2)25-14-22(27)29(31)32/h3-10,13-14H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.05E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199132 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-c...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(C)cc1)[N+]([O-])=O Show InChI InChI=1S/C23H20ClN5O4/c1-15-3-9-19(10-4-15)28-21(17-5-7-18(24)8-6-17)13-20(26-28)23(30)33-12-11-27-16(2)25-14-22(27)29(31)32/h3-10,13-14H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.78E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199142 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1,5-bi...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H17Cl2N5O4/c1-14-25-13-21(29(31)32)27(14)10-11-33-22(30)19-12-20(15-2-4-16(23)5-3-15)28(26-19)18-8-6-17(24)7-9-18/h2-9,12-13H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.31E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199131 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-f...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(F)cc2)n(n1)-c1ccc(C)cc1)[N+]([O-])=O Show InChI InChI=1S/C23H20FN5O4/c1-15-3-9-19(10-4-15)28-21(17-5-7-18(24)8-6-17)13-20(26-28)23(30)33-12-11-27-16(2)25-14-22(27)29(31)32/h3-10,13-14H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199153 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2cccc(F)c2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H17ClFN5O4/c1-14-25-13-21(29(31)32)27(14)9-10-33-22(30)19-12-20(15-3-2-4-17(24)11-15)28(26-19)18-7-5-16(23)6-8-18/h2-8,11-13H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.01E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199135 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-phen...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(C)cc2)n(n1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C23H21N5O4/c1-16-8-10-18(11-9-16)21-14-20(25-27(21)19-6-4-3-5-7-19)23(29)32-13-12-26-17(2)24-15-22(26)28(30)31/h3-11,14-15H,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.08E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199146 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1,5-di...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C22H19N5O4/c1-16-23-15-21(27(29)30)25(16)12-13-31-22(28)19-14-20(17-8-4-2-5-9-17)26(24-19)18-10-6-3-7-11-18/h2-11,14-15H,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199141 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(F)cc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H17ClFN5O4/c1-14-25-13-21(29(31)32)27(14)10-11-33-22(30)19-12-20(15-2-6-17(24)7-3-15)28(26-19)18-8-4-16(23)5-9-18/h2-9,12-13H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.44E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199136 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-f...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(F)cc2)n(n1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C22H18FN5O4/c1-15-24-14-21(28(30)31)26(15)11-12-32-22(29)19-13-20(16-7-9-17(23)10-8-16)27(25-19)18-5-3-2-4-6-18/h2-10,13-14H,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199149 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2F)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H17ClFN5O4/c1-14-25-13-21(29(31)32)27(14)10-11-33-22(30)19-12-20(17-4-2-3-5-18(17)24)28(26-19)16-8-6-15(23)7-9-16/h2-9,12-13H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.62E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199152 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(3-f...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2cccc(F)c2)n(n1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C22H18FN5O4/c1-15-24-14-21(28(30)31)26(15)10-11-32-22(29)19-13-20(16-6-5-7-17(23)12-16)27(25-19)18-8-3-2-4-9-18/h2-9,12-14H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.41E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase (Staphylococcus aureus (strain MSSA476))	BDBM199148 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(2-f...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2F)n(n1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C22H18FN5O4/c1-15-24-14-21(28(30)31)26(15)11-12-32-22(29)19-13-20(17-9-5-6-10-18(17)23)27(25-19)16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.54E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair