Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chorismate synthase' and Ligand = 'BDBM50421345'   

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
Chorismate synthase (Streptococcus pneumoniae)	BDBM50421345 (E101a | RIBOFLAVIN 5'-PHOSPHATE | Riboflavin 5''-P...) Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C Show InChI InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity towards Escherichia coli chorismate synthase				Bioorg Med Chem Lett 3: 1409-1414 (1993) Article DOI: 10.1016/S0960-894X(01)80421-2 BindingDB Entry DOI: 10.7270/Q2QN67ZD
					More data for this Ligand-Target Pair				3D Structure (crystal)