Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leucine--tRNA ligase, cytoplasmic' and Ligand = 'BDBM50075060'   

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))	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 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+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 Leucyl-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) BindingDB Entry DOI: 10.7270/Q2M32TX1
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