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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-N-acetylmuramate--L-alanine ligase' and Ligand = 'BDBM50475588'   
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-acetylmuramate--L-alanine ligase


(Escherichia coli)
BDBM50475588
PNG
(CHEMBL197865)
Show SMILES OC1=C(C(=O)O\C1=C/c1cccc2ccccc12)c1ccc(Cl)cc1 |t:1|
Show InChI InChI=1S/C21H13ClO3/c22-16-10-8-14(9-11-16)19-20(23)18(25-21(19)24)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,23H/b18-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against MurC 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