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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'lowery' and Initial = 'ca'   
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
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351511
PNG
(CHEMBL463321)
Show SMILES CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |r|
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/a 110n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in presence of 7.5 nM natural auto-inducer 3-oxo-C12-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(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/a 250n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in presence of 7.5 nM natural auto-inducer 3-oxo-C12-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50241433
PNG
((S)-3-(4-bromophenyl)-N-(2-oxo-tetrahydrofuran-3-y...)
Show SMILES Brc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H14BrNO3/c14-10-4-1-9(2-5-10)3-6-12(16)15-11-7-8-18-13(11)17/h1-2,4-5,11H,3,6-8H2,(H,15,16)/t11-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in presence of 7.5 nM natural auto-inducer 3-oxo-C12-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
CviR transcriptional regulator


(Chromobacterium violaceum)
BDBM50351516
PNG
(CHEMBL1823953)
Show SMILES Clc1ccc(OCCCC(=O)NC2CCOC2=O)cc1
Show InChI InChI=1S/C14H16ClNO4/c15-10-3-5-11(6-4-10)19-8-1-2-13(17)16-12-7-9-20-14(12)18/h3-6,12H,1-2,7-9H2,(H,16,17)
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n/an/a 377n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Chromobacterium violaceum CviR-dependent GFP fluorescence in Escherichia coli


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcriptional activator protein luxR


(Vibrio fischeri)
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/a 400n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri luxR receptor in presence of 5 uM 3-oxo-C6-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50266198
PNG
((S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluorom...)
Show SMILES FC(F)(F)Oc1ccc(OCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H12F3NO5/c14-13(15,16)22-9-3-1-8(2-4-9)21-7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens TraR receptor in presence of 100 nM 3-oxo-C8-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50266165
PNG
((S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluorom...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H12F3NO3/c14-13(15,16)9-3-1-8(2-4-9)7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri luxR receptor in presence of 5 uM 3-oxo-C6-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50300132
PNG
(CHEMBL584972 | N-heptanoyl-L-homoserine lactone)
Show SMILES CCCCCCC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens TraR receptor in presence of 100 nM 3-oxo-C8-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50351508
PNG
(CHEMBL259352)
Show SMILES CCCCCCCC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens TraR receptor in presence of 100 nM 3-oxo-C8-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50351508
PNG
(CHEMBL259352)
Show SMILES CCCCCCCC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri luxR receptor in presence of 5 uM 3-oxo-C6-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50266165
PNG
((S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluorom...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H12F3NO3/c14-13(15,16)9-3-1-8(2-4-9)7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
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n/an/a 810n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens TraR receptor in presence of 100 nM 3-oxo-C8-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50266163
PNG
((S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...)
Show SMILES Ic1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
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n/an/a 860n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri luxR receptor in presence of 5 uM 3-oxo-C6-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50241433
PNG
((S)-3-(4-bromophenyl)-N-(2-oxo-tetrahydrofuran-3-y...)
Show SMILES Brc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H14BrNO3/c14-10-4-1-9(2-5-10)3-6-12(16)15-11-7-8-18-13(11)17/h1-2,4-5,11H,3,6-8H2,(H,15,16)/t11-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens TraR receptor in presence of 100 nM 3-oxo-C8-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein traR


(Rhizobium radiobacter)
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/a 1.05E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens TraR receptor in presence of 100 nM 3-oxo-C8-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50266163
PNG
((S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...)
Show SMILES Ic1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens TraR receptor in presence of 100 nM 3-oxo-C8-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50241433
PNG
((S)-3-(4-bromophenyl)-N-(2-oxo-tetrahydrofuran-3-y...)
Show SMILES Brc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H14BrNO3/c14-10-4-1-9(2-5-10)3-6-12(16)15-11-7-8-18-13(11)17/h1-2,4-5,11H,3,6-8H2,(H,15,16)/t11-/m0/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri luxR receptor in presence of 5 uM 3-oxo-C6-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50300132
PNG
(CHEMBL584972 | N-heptanoyl-L-homoserine lactone)
Show SMILES CCCCCCC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri luxR receptor in presence of 5 uM 3-oxo-C6-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50266163
PNG
((S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...)
Show SMILES Ic1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in presence of 7.5 nM natural auto-inducer 3-oxo-C12-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351508
PNG
(CHEMBL259352)
Show SMILES CCCCCCCC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in presence of 7.5 nM natural auto-inducer 3-oxo-C12-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Autoinducer 1 sensor kinase/phosphatase luxN


(Vibrio harveyi)
BDBM50351500
PNG
(CHEMBL1823949)
Show SMILES CC(C)(c1ccccc1)c1ccc(OCC(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C22H27NO2/c1-22(2,17-8-4-3-5-9-17)18-12-14-20(15-13-18)25-16-21(24)23-19-10-6-7-11-19/h3-5,8-9,12-15,19H,6-7,10-11,16H2,1-2H3,(H,23,24)
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LuxN-dependent bioluminescence in Vibrio harveyi


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Autoinducer 1 sensor kinase/phosphatase luxN


(Vibrio harveyi)
BDBM50351501
PNG
(CHEMBL1823948)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H12Cl2O3S/c20-15-5-1-13(2-6-15)19(22)14-3-9-17(10-4-14)25(23,24)18-11-7-16(21)8-12-18/h1-12H
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n/an/a 2.60E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LuxN-dependent bioluminescence in Vibrio harveyi


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Autoinducer 1 sensor kinase/phosphatase luxN


(Vibrio harveyi)
BDBM50351503
PNG
(CHEMBL1823946)
Show SMILES CC(C)CC(NS(=O)(=O)c1ccc2CCN(C(C)=O)c2c1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C23H28ClN3O4S/c1-15(2)12-21(23(29)25-14-17-4-7-19(24)8-5-17)26-32(30,31)20-9-6-18-10-11-27(16(3)28)22(18)13-20/h4-9,13,15,21,26H,10-12,14H2,1-3H3,(H,25,29)
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n/an/a 2.70E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LuxN-dependent bioluminescence in Vibrio harveyi


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Autoinducer 1 sensor kinase/phosphatase luxN


(Vibrio harveyi)
BDBM50351502
PNG
(CHEMBL1823947)
Show SMILES COc1ccc(CNC(=O)C(NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)cc1
Show InChI InChI=1S/C21H25N3O4S2/c1-13(2)20(21(25)22-12-15-5-7-16(28-4)8-6-15)24-30(26,27)17-9-10-18-19(11-17)29-14(3)23-18/h5-11,13,20,24H,12H2,1-4H3,(H,22,25)
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n/an/a 2.90E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LuxN-dependent bioluminescence in Vibrio harveyi


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50266198
PNG
((S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluorom...)
Show SMILES FC(F)(F)Oc1ccc(OCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H12F3NO5/c14-13(15,16)22-9-3-1-8(2-4-9)21-7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
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n/an/a 4.67E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in presence of 7.5 nM natural auto-inducer 3-oxo-C12-HSL


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351505
PNG
(CHEMBL1823935)
Show SMILES O=C(CCCCCCCCCCN=C=S)CC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C18H28N2O4S/c21-15(13-17(22)20-16-10-12-24-18(16)23)9-7-5-3-1-2-4-6-8-11-19-14-25/h16H,1-13H2,(H,20,22)/t16-/m0/s1
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n/an/a 4.52E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR receptor assessed as inhibition of bioluminescence by reporter gene assay


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Autoinducer 1 sensor kinase/phosphatase luxN


(Vibrio harveyi)
BDBM50351499
PNG
(CHEMBL1823950)
Show SMILES CC(C)OC(=O)CSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H14N2O2S/c1-8(2)16-11(15)7-17-12-13-9-5-3-4-6-10(9)14-12/h3-6,8H,7H2,1-2H3,(H,13,14)
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n/an/a 6.23E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LuxN-dependent bioluminescence in Vibrio harveyi


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351504
PNG
(CHEMBL1823937)
Show SMILES BrCC(=O)NCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C18H29BrN2O5/c19-13-17(24)20-10-7-5-3-1-2-4-6-8-14(22)12-16(23)21-15-9-11-26-18(15)25/h15H,1-13H2,(H,20,24)(H,21,23)/t15-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR receptor assessed as inhibition of bioluminescence by reporter gene assay


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351506
PNG
(CHEMBL1823934)
Show SMILES O=C(CCCCCCCCCN=C=S)CC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C17H26N2O4S/c20-14(12-16(21)19-15-9-11-23-17(15)22)8-6-4-2-1-3-5-7-10-18-13-24/h15H,1-12H2,(H,19,21)/t15-/m0/s1
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n/an/a 1.13E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR receptor assessed as inhibition of bioluminescence by reporter gene assay


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351507
PNG
(CHEMBL1823933)
Show SMILES O=C(CCCCCCCCN=C=S)CC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C16H24N2O4S/c19-13(7-5-3-1-2-4-6-9-17-12-23)11-15(20)18-14-8-10-22-16(14)21/h14H,1-11H2,(H,18,20)/t14-/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR receptor assessed as inhibition of bioluminescence by reporter gene assay


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351514
PNG
(CHEMBL8609)
Show SMILES CCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O
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/h13-14,18H,2-12H2,1H3,(H,17,19)/t13?,14-/m0/s1
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n/an/an/an/a 54n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expres...


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351515
PNG
(CHEMBL1823932)
Show SMILES CCCCC\C=C\CCC(=O)CC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C16H25NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h6-7,14H,2-5,8-12H2,1H3,(H,17,19)/b7-6+/t14-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expres...


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50350703
PNG
(CHEMBL1814828)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCSC1=O |r|
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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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expres...


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50241431
PNG
((S)-2-(3-nitrophenyl)-N-(2-oxo-tetrahydrofuran-3-y...)
Show SMILES [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCOC2=O)c1 |r|
Show InChI InChI=1S/C12H12N2O5/c15-11(13-10-4-5-19-12(10)16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10H,4-5,7H2,(H,13,15)/t10-/m0/s1
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n/an/an/an/a 350n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio fischeri luxR receptor in absence of natural autoinducer


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351513
PNG
(CHEMBL8450)
Show SMILES CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expres...


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351512
PNG
(CHEMBL8483)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |r|
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 7n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expres...


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcriptional activator protein lasR


(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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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expres...


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351511
PNG
(CHEMBL463321)
Show SMILES CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |r|
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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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expres...


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(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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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expres...


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(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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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in absence of natural autoinducer


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(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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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in absence of natural autoinducer


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50248862
PNG
(CHEMBL473592 | N-(3-oxo-3-phenylpropanoyl)-L-homos...)
Show SMILES O=C(CC(=O)N[C@H]1CCOC1=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C14H15NO4/c16-11(8-10-4-2-1-3-5-10)9-13(17)15-12-6-7-19-14(12)18/h1-5,12H,6-9H2,(H,15,17)/t12-/m0/s1
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in absence of natural autoinducer


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair