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BDBM50123099 2-[1-(4-Hexyloxy-2-hydroxy-phenyl)-meth-(E)-ylidene]-6,7-dihydroxy-benzofuran-3-one::CHEMBL135231

SMILES: CCCCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1

InChI Key: InChIKey=QNXCSKWBDBRZBW-WOJGMQOQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50123099   
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)		BDBM50123099
PNG
(2-[1-(4-Hexyloxy-2-hydroxy-phenyl)-meth-(E)-yliden...)
Show SMILES CCCCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C21H22O6/c1-2-3-4-5-10-26-14-7-6-13(17(23)12-14)11-18-19(24)15-8-9-16(22)20(25)21(15)27-18/h6-9,11-12,22-23,25H,2-5,10H2,1H3/b18-11+
PDB
MMDB

KEGG

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PC cid
PC sid
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Similars
PubMed
n/an/a 320n/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