Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional chorismate mutase/prephenate dehydratase' and Ligand = 'BDBM50030318'   

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
Bifunctional chorismate mutase/prephenate dehydratase (Escherichia coli (strain K12))	BDBM50030318 (CHEMBL3343824) Show SMILES Oc1c(cc(cc1[N+]([O-])=O)S(=O)(=O)c1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C12H6N4O12S/c17-11-7(13(19)20)1-5(2-8(11)14(21)22)29(27,28)6-3-9(15(23)24)12(18)10(4-6)16(25)26/h1-4,17-18H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...				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