Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50011258   

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))	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))	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))	BDBM50104310 ((R)-[(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	124	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))	BDBM50104313 ((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]1CC[C@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C19H28N2O7/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/h3-6,12-17,22-25H,2,7-9,20H2,1H3,(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	245	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))	BDBM50104314 ((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C1CCCCC1 Show InChI InChI=1S/C18H26N2O4/c1-24-18(23)16(13-5-3-2-4-6-13)20-17(22)15(19)11-12-7-9-14(21)10-8-12/h7-10,13,15-16,21H,2-6,11,19H2,1H3,(H,20,22)/t15-,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	>3.00E+3	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))	BDBM50104312 ((R)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES CCOC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1CC[C@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C19H28N2O7/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/h3-6,12-17,22-25H,2,7-9,20H2,1H3,(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	>3.00E+3	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