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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50512170   
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
Virulence factor transcriptional regulator MvfR


(Pseudomonas aeruginosa PA14)
BDBM50512170
PNG
(CHEMBL4518045)
Show SMILES CCCCCCCCCc1nc2cc(Cl)ccc2c(=O)n1N
Show InChI InChI=1S/C17H24ClN3O/c1-2-3-4-5-6-7-8-9-16-20-15-12-13(18)10-11-14(15)17(22)21(16)19/h10-12H,2-9,19H2,1H3
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at His6 -tagged Pseudomonas aeruginosa PqsR CBD domain expressed in Escherichia coli Rosetta 2 (DE3)


Eur J Med Chem 172: 26-35 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.049
BindingDB Entry DOI: 10.7270/Q2W95DHC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)