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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'PhzR'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PhzR


(Pseudomonas aeruginosa)
BDBM50351252
PNG
(CHEMBL8755)
Show SMILES CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)/t14-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as production of beta-galactosidase


Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PhzR


(Pseudomonas aeruginosa)
BDBM50351509
PNG
(CHEMBL8799)
Show SMILES CCCCCCCCCC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as production of beta-galactosidase


Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50351511
PNG
(CHEMBL463321)
Show SMILES CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as production of beta-galactosidase


Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50351512
PNG
(CHEMBL8483)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ trans...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PhzR


(Pseudomonas aeruginosa)
BDBM50351512
PNG
(CHEMBL8483)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as production of beta-galactosidase


Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PhzR


(Pseudomonas aeruginosa)
BDBM50351510
PNG
(CHEMBL8463)
Show SMILES CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h16H,2-14H2,1H3,(H,19,21)/t16-/m0/s1
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n/an/an/an/a 78n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as production of beta-galactosidase


Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50350703
PNG
(CHEMBL1814828)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCSC1=O
Show InChI InChI=1S/C16H27NO3S/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
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n/an/an/an/a 80n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ trans...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50468427
PNG
(CHEMBL1812101)
Show SMILES CCCCCCCCCC(=O)CC(=O)NC1CCCC1
Show InChI InChI=1S/C17H31NO2/c1-2-3-4-5-6-7-8-13-16(19)14-17(20)18-15-11-9-10-12-15/h15H,2-14H2,1H3,(H,18,20)
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n/an/an/an/a 359n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ trans...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50468429
PNG
(CHEMBL4279608)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1
Show InChI InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-15(18)12-16(19)17-14-10-11-20-13-14/h14H,2-13H2,1H3,(H,17,19)/t14-/m0/s1
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n/an/an/an/a 815n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ trans...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50468430
PNG
(CHEMBL4283085)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCCC1=O
Show InChI InChI=1S/C17H29NO3/c1-2-3-4-5-6-7-8-10-14(19)13-17(21)18-15-11-9-12-16(15)20/h15H,2-13H2,1H3,(H,18,21)/t15-/m0/s1
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n/an/an/an/a 834n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ trans...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50468425
PNG
(CHEBI:56080 | CHEMBL208383)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCOC1=O
Show InChI InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m1/s1
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n/an/an/an/a 1.38E+3n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ trans...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50468431
PNG
(CHEMBL408326)
Show SMILES CCCCCCCCCCCS(=O)(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C15H29NO4S/c1-2-3-4-5-6-7-8-9-10-13-21(18,19)16-14-11-12-20-15(14)17/h14,16H,2-13H2,1H3/t14-/m0/s1
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n/an/an/an/a 1.59E+3n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ trans...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50468428
PNG
(CHEBI:44612 | CHEMBL1234965)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O
Show InChI InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
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n/an/an/an/a 3.32E+3n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ trans...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50468424
PNG
(CHEMBL4287516)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCO[C@@H]1O
Show InChI InChI=1S/C16H29NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14,16,20H,2-12H2,1H3,(H,17,19)/t14-,16-/m0/s1
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n/an/an/an/a 3.46E+3n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ trans...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50373107
PNG
(CHEMBL259439)
Show SMILES CCCCCCCCc1ccc(cc1)C(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18(21)20-17-13-14-23-19(17)22/h9-12,17H,2-8,13-14H2,1H3,(H,20,21)/t17-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as inhibition of dodecanoyl homoserine lactone induced prod...


Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50373106
PNG
(CHEMBL259440)
Show SMILES CC(C)(C)OC(=O)NCc1ccc(cc1)C(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C17H22N2O5/c1-17(2,3)24-16(22)18-10-11-4-6-12(7-5-11)14(20)19-13-8-9-23-15(13)21/h4-7,13H,8-10H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as inhibition of dodecanoyl homoserine lactone induced prod...


Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50373105
PNG
(CHEMBL259441)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)N[C@H]1CCOC1=O
Show InChI InChI=1S/C18H17NO3/c20-17(19-16-10-11-22-18(16)21)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,19,20)/t16-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as inhibition of dodecanoyl homoserine lactone induced prod...


Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50373104
PNG
(CHEMBL265683)
Show SMILES CCOc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1
Show InChI InChI=1S/C14H17NO4/c1-2-18-11-5-3-10(4-6-11)9-13(16)15-12-7-8-19-14(12)17/h3-6,12H,2,7-9H2,1H3,(H,15,16)/t12-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as inhibition of dodecanoyl homoserine lactone induced prod...


Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50373103
PNG
(CHEMBL258913)
Show SMILES Brc1ccc(cc1)C(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C11H10BrNO3/c12-8-3-1-7(2-4-8)10(14)13-9-5-6-16-11(9)15/h1-4,9H,5-6H2,(H,13,14)/t9-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as inhibition of dodecanoyl homoserine lactone induced prod...


Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50468432
PNG
(CHEMBL4285396)
Show SMILES CCCCCCCCCC(=O)CC(=O)NCC1CCCO1
Show InChI InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-10-15(19)13-17(20)18-14-16-11-9-12-21-16/h16H,2-14H2,1H3,(H,18,20)
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ tr...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50468426
PNG
(CHEMBL3235593)
Show SMILES CCCCCCCCCC(=O)CC(=O)O[C@H]1CCOC1=O
Show InChI InChI=1S/C16H26O5/c1-2-3-4-5-6-7-8-9-13(17)12-15(18)21-14-10-11-20-16(14)19/h14H,2-12H2,1H3/t14-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ tr...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair