Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50009276   

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, cytoplasmic (Homo sapiens (Human))	BDBM50081838 (CHEMBL318019 | [(S)-2-Amino-3-(4-hydroxy-phenyl)-p...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C(O)=O)c1ccc(O)c(O)c1O Show InChI InChI=1S/C17H18N2O7/c18-11(7-8-1-3-9(20)4-2-8)16(24)19-13(17(25)26)10-5-6-12(21)15(23)14(10)22/h1-6,11,13,20-23H,7,18H2,(H,19,24)(H,25,26)/t11-,13?/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	510	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 9: 2859-62 (1999) BindingDB Entry DOI: 10.7270/Q2F18XX9
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50081839 (CHEMBL98455 | [(S)-2-Amino-3-(4-hydroxy-phenyl)-pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C(O)=O)c1ccccc1O Show InChI InChI=1S/C17H18N2O5/c18-13(9-10-5-7-11(20)8-6-10)16(22)19-15(17(23)24)12-3-1-2-4-14(12)21/h1-8,13,15,20-21H,9,18H2,(H,19,22)(H,23,24)/t13-,15?/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	800	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 9: 2859-62 (1999) BindingDB Entry DOI: 10.7270/Q2F18XX9
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50081834 ((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(O)=O)c1ccccc1 Show InChI InChI=1S/C17H18N2O4/c18-14(10-11-6-8-13(20)9-7-11)16(21)19-15(17(22)23)12-4-2-1-3-5-12/h1-9,14-15,20H,10,18H2,(H,19,21)(H,22,23)/t14-,15-/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	900	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 9: 2859-62 (1999) BindingDB Entry DOI: 10.7270/Q2F18XX9
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50081837 (CHEMBL99347 | [(S)-2-Amino-3-(4-hydroxy-phenyl)-pr...) Show SMILES COC(=O)C(NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1O Show InChI InChI=1S/C18H20N2O5/c1-25-18(24)16(13-4-2-3-5-15(13)22)20-17(23)14(19)10-11-6-8-12(21)9-7-11/h2-9,14,16,21-22H,10,19H2,1H3,(H,20,23)/t14-,16?/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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 9: 2859-62 (1999) BindingDB Entry DOI: 10.7270/Q2F18XX9
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50081841 (CHEMBL95581 | [(S)-2-Amino-3-(4-hydroxy-phenyl)-pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C(O)=O)c1cccc(O)c1 Show InChI InChI=1S/C17H18N2O5/c18-14(8-10-4-6-12(20)7-5-10)16(22)19-15(17(23)24)11-2-1-3-13(21)9-11/h1-7,9,14-15,20-21H,8,18H2,(H,19,22)(H,23,24)/t14-,15?/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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 9: 2859-62 (1999) BindingDB Entry DOI: 10.7270/Q2F18XX9
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50081840 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 9: 2859-62 (1999) BindingDB Entry DOI: 10.7270/Q2F18XX9
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50081836 (CHEMBL95616 | [(S)-2-Amino-3-(4-hydroxy-phenyl)-pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C(O)=O)c1ccccc1F Show InChI InChI=1S/C17H17FN2O4/c18-13-4-2-1-3-12(13)15(17(23)24)20-16(22)14(19)9-10-5-7-11(21)8-6-10/h1-8,14-15,21H,9,19H2,(H,20,22)(H,23,24)/t14-,15?/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	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 9: 2859-62 (1999) BindingDB Entry DOI: 10.7270/Q2F18XX9
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50081835 ((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(O)=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C17H18N2O6/c18-12(7-9-1-4-11(20)5-2-9)16(23)19-15(17(24)25)10-3-6-13(21)14(22)8-10/h1-6,8,12,15,20-22H,7,18H2,(H,19,23)(H,24,25)/t12-,15-/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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 9: 2859-62 (1999) BindingDB Entry DOI: 10.7270/Q2F18XX9
					More data for this Ligand-Target Pair