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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-N-acetylglucosamine 1-carboxyvinyltransferase' and Ligand = 'BDBM50475599'   
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
UDP-N-acetylglucosamine 1-carboxyvinyltransferase


(Escherichia coli K-12 (Enterobacteria))
BDBM50475599
PNG
(CHEMBL200097)
Show SMILES Cc1ccccc1-c1ccc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)cc1C |c:16|
Show InChI InChI=1S/C25H18Cl2O3/c1-14-5-3-4-6-20(14)21-8-7-16(9-15(21)2)10-22-24(28)23(25(29)30-22)17-11-18(26)13-19(27)12-17/h3-13,29H,1-2H3/b22-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.57E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against MurA in Escherichia coli


Bioorg Med Chem Lett 16: 176-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7
More data for this
Ligand-Target Pair