BDBM50281987 2-(3-Carboxy-cyclohex-2-enyloxy)-malonic acid::CHEMBL32219
SMILES: OC(=O)C(OC1CCCC(=C1)C(O)=O)C(O)=O
InChI Key: InChIKey=GDCNICQVNHOHQI-UHFFFAOYSA-N
Data: 1 IC50
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)) | BDBM50281987 (2-(3-Carboxy-cyclohex-2-enyloxy)-malonic acid | CH...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article | n/a | n/a | 1.50E+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) |