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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chorismate synthase' and Ligand = 'BDBM50123101'   
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)		BDBM50123101
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-4-propoxy-phenyl)-me...)
Show SMILES CCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C18H16O6/c1-2-7-23-11-4-3-10(14(20)9-11)8-15-16(21)12-5-6-13(19)17(22)18(12)24-15/h3-6,8-9,19-20,22H,2,7H2,1H3/b15-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 510n/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