Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Leucine--tRNA ligase, cytoplasmic' and Ligand = 'BDBM50075068'   

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
Leucine--tRNA ligase, cytoplasmic (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	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 Leucyl-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) BindingDB Entry DOI: 10.7270/Q2M32TX1
					More data for this Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	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 human isoleucyl-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) BindingDB Entry DOI: 10.7270/Q2M32TX1
					More data for this Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of E. coli isoleucyl-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) BindingDB Entry DOI: 10.7270/Q2M32TX1
					More data for this Ligand-Target Pair