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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 254.2
BDBM50123106

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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)
BDBM50123106
PNG
(6,7-Dihydroxy-2-[1-phenyl-meth-(E)-ylidene]-benzof...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-11-7-6-10-13(17)12(19-15(10)14(11)18)8-9-4-2-1-3-5-9/h1-8,16,18H/b12-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 3.50E+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