Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Threonine--tRNA ligase' and Ligand = 'BDBM50426194'   

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
Threonine--tRNA ligase (Yersinia pestis)	BDBM50426194 (CHEMBL2316966) Show SMILES CC[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1 |r| Show InChI InChI=1S/C17H21N5O4S/c1-2-14(23)16(19)17(24)22-27(25,26)7-6-11-4-3-5-12(8-11)13-9-15(18)21-10-20-13/h3-10,14,16,23H,2,19H2,1H3,(H,22,24)(H2,18,20,21)/b7-6+/t14-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trius Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to Yersinia pestis ThrRS by coupled spectrophotometry				J Med Chem 56: 1748-60 (2013) Article DOI: 10.1021/jm301756m BindingDB Entry DOI: 10.7270/Q2GQ7036
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