BindingDB logo
myBDB logout

BDBM50123110 CHEMBL434823::{4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylidenemethyl]-3-hydroxy-phenoxy}-acetic acid ethyl ester

SMILES: CCOC(=O)COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1

InChI Key: InChIKey=IAFFAPUIZHBDNR-VIZOYTHASA-N

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 = 50123110   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Chorismate synthase


(Streptococcus pneumoniae)		BDBM50123110
PNG
(CHEMBL434823 | {4-[6,7-Dihydroxy-3-oxo-3H-benzofur...)
Show SMILES CCOC(=O)COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C19H16O8/c1-2-25-16(22)9-26-11-4-3-10(14(21)8-11)7-15-17(23)12-5-6-13(20)18(24)19(12)27-15/h3-8,20-21,24H,2,9H2,1H3/b15-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.03E+4n/an/an/an/an/an/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