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Compile Data Set for Download or QSAR

Found 8 hits of ec50 data for polymerid = 50006425   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50440124
PNG
(CHEMBL2426232)
Show SMILES Nc1nnc(o1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)
PDB

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n/an/an/an/a 7.50E+3n/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...


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)
BDBM50440129
PNG
(CHEMBL2426231)
Show SMILES Nc1nnc(o1)-c1cccc(Br)c1
Show InChI InChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
PDB

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n/an/an/an/a 7.50E+3n/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...


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)
BDBM50440126
PNG
(CHEMBL2426233)
Show SMILES Nc1nnc(o1)-c1cccc(c1)C#N
Show InChI InChI=1S/C9H6N4O/c10-5-6-2-1-3-7(4-6)8-12-13-9(11)14-8/h1-4H,(H2,11,13)
PDB

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n/an/an/an/a 1.78E+4n/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...


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)
BDBM50440125
PNG
(CHEMBL2426228)
Show SMILES Nc1nnc(o1)-c1cccc(Cl)c1
Show InChI InChI=1S/C8H6ClN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
PDB

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n/an/an/an/a 2.67E+4n/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...


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)
BDBM50440124
PNG
(CHEMBL2426232)
Show SMILES Nc1nnc(o1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)
PDB

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n/an/an/an/a 3.85E+4n/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in pqs gene-deficient Pseudomonas aeruginosa PA14 by beta-galactosidase reporter ge...


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)
BDBM50440123
PNG
(CHEMBL2426234)
Show SMILES Nc1nnc(o1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C9H6F3N3O2/c10-9(11,12)17-6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)
PDB

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n/an/an/an/a 4.65E+4n/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...


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)
BDBM50440122
PNG
(CHEMBL2426235)
Show SMILES Cc1cccc(c1)-c1nnc(N)o1
Show InChI InChI=1S/C9H9N3O/c1-6-3-2-4-7(5-6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
PDB

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n/an/an/an/a 5.78E+4n/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...


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)
BDBM50440121
PNG
(CHEMBL2426237 | US11634391, Compound 117)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnco1
Show InChI InChI=1S/C9H5F3N2O/c10-9(11,12)7-3-1-2-6(4-7)8-14-13-5-15-8/h1-5H
PDB

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n/an/an/an/a 1.01E+5n/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...


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