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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Virulence factor transcriptional regulator MvfR' and Ligand = 'BDBM50440128'   
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)
BDBM50440128
PNG
(CHEMBL1545380)
Show SMILES FC(F)(F)c1cc(n[nH]1)-c1cccs1
Show InChI InChI=1S/C8H5F3N2S/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13)
PDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 8.50E+3n/an/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...


J Med Chem 56: 6761-74 (2013)


Article DOI: 10.1021/jm400830r
BindingDB Entry DOI: 10.7270/Q2T72JV2
More data for this
Ligand-Target Pair
Virulence factor transcriptional regulator MvfR


(Pseudomonas aeruginosa PA14)
BDBM50440128
PNG
(CHEMBL1545380)
Show SMILES FC(F)(F)c1cc(n[nH]1)-c1cccs1
Show InChI InChI=1S/C8H5F3N2S/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.07E+4n/an/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (DE3) by surface plasmon resonanc...


J Med Chem 56: 6761-74 (2013)


Article DOI: 10.1021/jm400830r
BindingDB Entry DOI: 10.7270/Q2T72JV2
More data for this
Ligand-Target Pair