Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Salicylate synthetase, Irp9' and Ligand = 'BDBM50030319'   

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
Salicylate synthetase, Irp9 (Yersinia enterocolitica)	BDBM50030319 (CHEMBL3343826) Show SMILES COC(=O)Oc1c(Cl)cc2oc(=O)sc2c1[N+]([O-])=O Show InChI InChI=1S/C9H4ClNO7S/c1-16-8(12)18-6-3(10)2-4-7(5(6)11(14)15)19-9(13)17-4/h2H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as salicylate production by fluorescence spectrometry				Bioorg Med Chem 22: 5961-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.010 BindingDB Entry DOI: 10.7270/Q2PC340D
					More data for this Ligand-Target Pair