Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Alanyl-tRNA synthetase'   

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
Alanyl-tRNA synthetase (Homo sapiens (Human))	BDBM50075057 (CHEMBL126919 | [(S)-2-Amino-3-(3H-imidazol-4-yl)-p...) Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C20H23N5O7S2/c21-13(6-12-7-22-10-23-12)19(28)25-34(29,30)31-8-15-16(26)17(27)18(32-15)20-24-14(9-33-20)11-4-2-1-3-5-11/h1-5,7,9-10,13,15-18,26-27H,6,8,21H2,(H,22,23)(H,25,28)/t13-,15+,16+,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound tested for the inhibition of E. coli Alanine-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) Article DOI: 10.1016/s0960-894x(98)00738-0 BindingDB Entry DOI: 10.7270/Q2M32TX1
					More data for this Ligand-Target Pair
Alanyl-tRNA synthetase (Homo sapiens (Human))	BDBM50075060 (((S)-2-Amino-3-phenyl-propionyl)-sulfamic acid (2R...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C23H25N3O7S2/c24-16(11-14-7-3-1-4-8-14)22(29)26-35(30,31)32-12-18-19(27)20(28)21(33-18)23-25-17(13-34-23)15-9-5-2-6-10-15/h1-10,13,16,18-21,27-28H,11-12,24H2,(H,26,29)/t16-,18+,19+,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound tested for the inhibition of E. coli Alanine-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) Article DOI: 10.1016/s0960-894x(98)00738-0 BindingDB Entry DOI: 10.7270/Q2M32TX1
					More data for this Ligand-Target Pair
Alanyl-tRNA synthetase (Homo sapiens (Human))	BDBM50075066 (((S)-2-Amino-propionyl)-sulfamic acid (2R,3S,4R,5R...) Show SMILES C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C17H21N3O7S2/c1-9(18)16(23)20-29(24,25)26-7-12-13(21)14(22)15(27-12)17-19-11(8-28-17)10-5-3-2-4-6-10/h2-6,8-9,12-15,21-22H,7,18H2,1H3,(H,20,23)/t9-,12+,13+,14+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound tested for the inhibition of E. coli Alanine-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) Article DOI: 10.1016/s0960-894x(98)00738-0 BindingDB Entry DOI: 10.7270/Q2M32TX1
					More data for this Ligand-Target Pair
Alanyl-tRNA synthetase (Homo sapiens (Human))	BDBM50075064 (((S)-2-Amino-3-methyl-butyryl)-sulfamic acid (2R,3...) Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C19H25N3O7S2/c1-10(2)14(20)18(25)22-31(26,27)28-8-13-15(23)16(24)17(29-13)19-21-12(9-30-19)11-6-4-3-5-7-11/h3-7,9-10,13-17,23-24H,8,20H2,1-2H3,(H,22,25)/t13-,14+,15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound tested for the inhibition of E. coli Alanine-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) Article DOI: 10.1016/s0960-894x(98)00738-0 BindingDB Entry DOI: 10.7270/Q2M32TX1
					More data for this Ligand-Target Pair
Alanyl-tRNA synthetase (Homo sapiens (Human))	BDBM50075068 (((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...) Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound tested for the inhibition of E. coli Alanine-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) Article DOI: 10.1016/s0960-894x(98)00738-0 BindingDB Entry DOI: 10.7270/Q2M32TX1
					More data for this Ligand-Target Pair