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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chorismate synthase' and Ligand = 'BDBM50123121'   
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)		BDBM50123121
PNG
(6,7-Dihydroxy-2-[1-[2-hydroxy-4-(6-hydroxy-hexylox...)
Show SMILES OCCCCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C21H22O7/c22-9-3-1-2-4-10-27-14-6-5-13(17(24)12-14)11-18-19(25)15-7-8-16(23)20(26)21(15)28-18/h5-8,11-12,22-24,26H,1-4,9-10H2/b18-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1.60E+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