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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chorismate synthase' and Ligand = 'BDBM50123120'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Chorismate synthase


(Streptococcus pneumoniae)		BDBM50123120
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-4-pentyloxy-phenyl)-...)
Show SMILES CCCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C20H20O6/c1-2-3-4-9-25-13-6-5-12(16(22)11-13)10-17-18(23)14-7-8-15(21)19(24)20(14)26-17/h5-8,10-11,21-22,24H,2-4,9H2,1H3/b17-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 220n/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