Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Threonine--tRNA ligase' and Ligand = 'BDBM50426197'   

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)	BDBM50426197 (CHEMBL2316963) Show SMILES C[C@@H](O)[C@H](N)C(=O)NNc1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1 |r| Show InChI InChI=1S/C18H19ClN6O2/c1-9(26)15(20)17(27)25-24-12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-18(19)23-16(13)21/h2-9,15,24,26H,20H2,1H3,(H,25,27)(H2,21,22,23)/t9-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	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
					More data for this Ligand-Target Pair