BDBM50281994 CHEMBL430544::Disodium salt of (3R,4R,5R)-5-(1-Carboxy-vinyloxy)-3,4-dihydroxy-cyclohex-1-enecarboxylic acid

SMILES: O[C@@H]1C=C(C[C@@H](OC(=C)C([O-])=O)[C@@H]1O)C([O-])=O

InChI Key: InChIKey=PIUBYZZPBXJIFU-BWZBUEFSSA-L

Data: 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 1 hit for monomerid = 50281994   

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))	BDBM50281994 (CHEMBL430544 | Disodium salt of (3R,4R,5R)-5-(1-Ca...) Show SMILES O[C@@H]1C=C(C[C@@H](OC(=C)C([O-])=O)[C@@H]1O)C([O-])=O |c:2| Show InChI InChI=1S/C10H12O7/c1-4(9(13)14)17-7-3-5(10(15)16)2-6(11)8(7)12/h2,6-8,11-12H,1,3H2,(H,13,14)(H,15,16)/p-2/t6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>9.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (docked)