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BDBM50123085 4-{4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylidenemethyl]-3-hydroxy-phenoxy}-butyric acid::CHEMBL132820

SMILES: OC(=O)CCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1

InChI Key: InChIKey=PYVAOLHHOSAZJY-OVCLIPMQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50123085   
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)		BDBM50123085
PNG
(4-{4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylide...)
Show SMILES OC(=O)CCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C19H16O8/c20-13-6-5-12-17(24)15(27-19(12)18(13)25)8-10-3-4-11(9-14(10)21)26-7-1-2-16(22)23/h3-6,8-9,20-21,25H,1-2,7H2,(H,22,23)/b15-8+
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.10E+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