Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isochorismate synthase EntC' and Ligand = 'BDBM50200003'   

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
Isochorismate synthase EntC (Escherichia coli (strain K12))	BDBM50200003 (3-(carboxymethoxy)benzoic acid | CHEMBL216545) Show SMILES OC(=O)COc1cccc(c1)C(O)=O Show InChI InChI=1S/C9H8O5/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Escherichia coli K12 IS expressed in Escherichia coli BL21(DE3) by spectrophotometry				J Med Chem 53: 3718-29 (2010) Article DOI: 10.1021/jm100158v BindingDB Entry DOI: 10.7270/Q25T3KN4
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