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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'bazzaz' and Initial = 'bsf'   
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)
BDBM50512171
PNG
(CHEMBL4513689)
Show SMILES CCCCCCCCCc1nc2cc(F)c(F)cc2c(=O)n1N
Show InChI InChI=1S/C17H23F2N3O/c1-2-3-4-5-6-7-8-9-16-21-15-11-14(19)13(18)10-12(15)17(23)22(16)20/h10-11H,2-9,20H2,1H3
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+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
3-oxoacyl-ACP synthase


(Pseudomonas aeruginosa)
BDBM50512172
PNG
(CHEMBL4453677)
Show SMILES CCCCCCS(=O)(=O)c1nccc(n1)-n1ccnn1
Show InChI InChI=1S/C12H17N5O2S/c1-2-3-4-5-10-20(18,19)12-13-7-6-11(15-12)17-9-8-14-16-17/h6-9H,2-5,10H2,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PqsD


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
Virulence factor transcriptional regulator MvfR


(Pseudomonas aeruginosa PA14)
BDBM50512173
PNG
(CHEMBL4521273)
Show SMILES CCCCCCCCCc1nc2cc(F)ccc2c(=O)n1N
Show InChI InChI=1S/C17H24FN3O/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
UniChem
Article
PubMed
n/an/a 3.90E+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
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)
Virulence factor transcriptional regulator MvfR


(Pseudomonas aeruginosa PA14)
BDBM50512169
PNG
(CHEMBL4587386)
Show SMILES CS(=O)(=O)c1nccc(n1)-n1cnnn1
Show InChI InChI=1S/C6H6N6O2S/c1-15(13,14)6-7-3-2-5(9-6)12-4-8-10-11-12/h2-4H,1H3
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PqsR


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
3-oxoacyl-ACP synthase


(Pseudomonas aeruginosa)
BDBM50512169
PNG
(CHEMBL4587386)
Show SMILES CS(=O)(=O)c1nccc(n1)-n1cnnn1
Show InChI InChI=1S/C6H6N6O2S/c1-15(13,14)6-7-3-2-5(9-6)12-4-8-10-11-12/h2-4H,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PqsD


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
Virulence factor transcriptional regulator MvfR


(Pseudomonas aeruginosa PA14)
BDBM50512172
PNG
(CHEMBL4453677)
Show SMILES CCCCCCS(=O)(=O)c1nccc(n1)-n1ccnn1
Show InChI InChI=1S/C12H17N5O2S/c1-2-3-4-5-10-20(18,19)12-13-7-6-11(15-12)17-9-8-14-16-17/h6-9H,2-5,10H2,1H3
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PqsR


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