BDBM50281989 CHEMBL285416::Sodium; (3-carboxy-5,6-dihydroxy-cyclohex-3-enyloxycarbonyl)-methanephosphonate

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

InChI Key: InChIKey=BVVDPRHLJWIGMX-ATRFCDNQSA-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 = 50281989   

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))	BDBM50281989 (CHEMBL285416 | Sodium; (3-carboxy-5,6-dihydroxy-cy...) Show SMILES O[C@@H]1C=C(C[C@@H](OC(=O)CP(O)([O-])=O)[C@@H]1O)C([O-])=O |c:2| Show InChI InChI=1S/C9H13O9P/c10-5-1-4(9(13)14)2-6(8(5)12)18-7(11)3-19(15,16)17/h1,5-6,8,10,12H,2-3H2,(H,13,14)(H2,15,16,17)/p-2/t5-,6-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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)