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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-N-acetylmuramoylalanine--D-glutamate ligase' and Ligand = 'BDBM50475580'   
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-acetylmuramoylalanine--D-glutamate ligase


(Escherichia coli (strain K12))
BDBM50475580
PNG
(CHEMBL199546)
Show SMILES OC1=C(C(=O)O\C1=C/C1CCCCC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C18H17F3O3/c19-18(20,21)13-8-4-7-12(10-13)15-16(22)14(24-17(15)23)9-11-5-2-1-3-6-11/h4,7-11,22H,1-3,5-6H2/b14-9-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>7.38E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against MurD 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