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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'PhzR'   
Target
(Institution)
LigandTarget
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
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...


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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
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


Citation and Details
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 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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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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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


Citation and Details
More data for this
Ligand-Target Pair