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BDBM50123116 CHEMBL135330::{4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylidenemethyl]-3-hydroxy-phenoxy}-acetic acid

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

InChI Key: InChIKey=PCJSYWZDXTYNCX-WLRTZDKTSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50123116   
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)		BDBM50123116
PNG
(CHEMBL135330 | {4-[6,7-Dihydroxy-3-oxo-3H-benzofur...)
Show SMILES OC(=O)COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C17H12O8/c18-11-4-3-10-15(22)13(25-17(10)16(11)23)5-8-1-2-9(6-12(8)19)24-7-14(20)21/h1-6,18-19,23H,7H2,(H,20,21)/b13-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 2.60E+3n/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