BDBM50123114 2-[1-(4-Diethylamino-phenyl)-meth-(E)-ylidene]-6,7-dihydroxy-benzofuran-3-one::CHEMBL334500

SMILES: CCN(CC)c1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1

InChI Key: InChIKey=FIJOFUUQGBYKPA-LFIBNONCSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50123114   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50123114 (2-[1-(4-Diethylamino-phenyl)-meth-(E)-ylidene]-6,7...) Show SMILES CCN(CC)c1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1 Show InChI InChI=1S/C19H19NO4/c1-3-20(4-2)13-7-5-12(6-8-13)11-16-17(22)14-9-10-15(21)18(23)19(14)24-16/h5-11,21,23H,3-4H2,1-2H3/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanTherix Ltd. Curated by ChEMBL					Assay Description Competitive inhibitory activity of the compound was determined with respect to EPSP (5-enolpyruvylshikimate- 3-phosphate) synthase				Bioorg Med Chem Lett 13: 423-6 (2003) BindingDB Entry DOI: 10.7270/Q2TH8M2M
					More data for this Ligand-Target Pair
Chorismate synthase (Streptococcus pneumoniae)	BDBM50123114 (2-[1-(4-Diethylamino-phenyl)-meth-(E)-ylidene]-6,7...) Show SMILES CCN(CC)c1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1 Show InChI InChI=1S/C19H19NO4/c1-3-20(4-2)13-7-5-12(6-8-13)11-16-17(22)14-9-10-15(21)18(23)19(14)24-16/h5-11,21,23H,3-4H2,1-2H3/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
PanTherix Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against Streptococcus pneumoniae chorismate synthase				Bioorg Med Chem Lett 13: 423-6 (2003) BindingDB Entry DOI: 10.7270/Q2TH8M2M
					More data for this Ligand-Target Pair