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Compile Data Set for Download or QSAR

Found 70 hits   
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)
BDBM50351251
PNG
(CHEMBL1818523)
Show SMILES CCCCCCCCCCCCn1nnc(CC(O)=O)n1
Show InChI InChI=1S/C15H28N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-17-14(16-18-19)13-15(20)21/h2-13H2,1H3,(H,20,21)
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n/an/a 30n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa MW1 LasR assessed as inhibition of protein interaction with OdDHL by beta-galactosidase reporter gene a...


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351251
PNG
(CHEMBL1818523)
Show SMILES CCCCCCCCCCCCn1nnc(CC(O)=O)n1
Show InChI InChI=1S/C15H28N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-17-14(16-18-19)13-15(20)21/h2-13H2,1H3,(H,20,21)
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n/an/a 30n/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Bioorg Med Chem 19: 5500-6 (2011)


Article DOI: 10.1016/j.bmc.2011.07.044
BindingDB Entry DOI: 10.7270/Q2QF8T7Q
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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n/an/a 40n/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Bioorg Med Chem 19: 5500-6 (2011)


Article DOI: 10.1016/j.bmc.2011.07.044
BindingDB Entry DOI: 10.7270/Q2QF8T7Q
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50350706
PNG
(CHEMBL1811922)
Show SMILES CCCCCCCCCCCC(=O)N[C@H]1CCSC1=O
Show InChI InChI=1S/C16H29NO2S/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/a 40n/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Bioorg Med Chem 19: 5500-6 (2011)


Article DOI: 10.1016/j.bmc.2011.07.044
BindingDB Entry DOI: 10.7270/Q2QF8T7Q
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(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/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)
BDBM50241433
PNG
((S)-3-(4-bromophenyl)-N-(2-oxo-tetrahydrofuran-3-y...)
Show SMILES Brc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1
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 250n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
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
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
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351508
PNG
(CHEMBL259352)
Show SMILES CCCCCCCC(=O)N[C@H]1CCOC1=O
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 340n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
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
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/a 610n/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Bioorg Med Chem 19: 5500-6 (2011)


Article DOI: 10.1016/j.bmc.2011.07.044
BindingDB Entry DOI: 10.7270/Q2QF8T7Q
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
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
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/a 610n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50465709
PNG
(8-AZAGUANINE | 8-Azaguanine | CHEBI:63486)
Show SMILES Nc1nc(O)c2[nH]nnc2n1
Show InChI InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)
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n/an/a 640n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at LasR in Pseudomonas aeruginosa PAO1 harboring GFP-fused quorum sensing lasB measured every 15 mins for 14 hrs by GFP reporter ...


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50465704
PNG
(CHEMBL4282406)
Show SMILES CCCCCCCOc1ccc(cc1)C(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C18H25NO4/c1-2-3-4-5-6-12-22-15-9-7-14(8-10-15)17(20)19-16-11-13-23-18(16)21/h7-10,16H,2-6,11-13H2,1H3,(H,19,20)/t16-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351249
PNG
(CHEMBL1818521)
Show SMILES ClCC(=O)NCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C18H29ClN2O5/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 1.10E+3n/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Bioorg Med Chem 19: 5500-6 (2011)


Article DOI: 10.1016/j.bmc.2011.07.044
BindingDB Entry DOI: 10.7270/Q2QF8T7Q
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50465705
PNG
(CHEMBL258912)
Show SMILES Ic1cccc(CC(=O)N[C@H]2CCOC2=O)c1
Show InChI InChI=1S/C12H12INO3/c13-9-3-1-2-8(6-9)7-11(15)14-10-4-5-17-12(10)16/h1-3,6,10H,4-5,7H2,(H,14,15)/t10-/m0/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
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
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
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
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50465706
PNG
(CHEMBL4284314)
Show SMILES O=C(N[C@H]1CCOC1=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C20H18N4O3S/c25-19(21-18-10-11-27-20(18)26)14-6-8-16(9-7-14)24-12-15(22-23-24)13-28-17-4-2-1-3-5-17/h1-9,12,18H,10-11,13H2,(H,21,25)/t18-/m0/s1
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n/an/a 2.64E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at LasR in Pseudomonas aeruginosa reporter strain


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50465698
PNG
(CHEMBL3403857)
Show SMILES CCCCc1cn(CC(=O)N[C@H]2CCOC2=O)nn1
Show InChI InChI=1S/C12H18N4O3/c1-2-3-4-9-7-16(15-14-9)8-11(17)13-10-5-6-19-12(10)18/h7,10H,2-6,8H2,1H3,(H,13,17)/t10-/m0/s1
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n/an/a 3.27E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at LasR in Pseudomonas aeruginosa reporter strain


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50465708
PNG
(CHEMBL3403871)
Show SMILES Nc1cccc(c1)-n1cc(CCC(=O)N[C@H]2CCOC2=O)nn1
Show InChI InChI=1S/C15H17N5O3/c16-10-2-1-3-12(8-10)20-9-11(18-19-20)4-5-14(21)17-13-6-7-23-15(13)22/h1-3,8-9,13H,4-7,16H2,(H,17,21)/t13-/m0/s1
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n/an/a 4.03E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at LasR in Pseudomonas aeruginosa reporter strain


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
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
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)
BDBM50465697
PNG
(CHEMBL4289544)
Show SMILES Clc1ccc(SCCC(=O)N[C@H]2CCOC2=O)cc1
Show InChI InChI=1S/C13H14ClNO3S/c14-9-1-3-10(4-2-9)19-8-6-12(16)15-11-5-7-18-13(11)17/h1-4,11H,5-8H2,(H,15,16)/t11-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at LasR in Pseudomonas aeruginosa reporter strain


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50027796
PNG
(2-(Sulfanilylamino)thiazole | 2-(p-Aminobenzenesul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of LasR in Pseudomonas aeruginosa harboring GFP-fused quorum sensing lasB measured every 15 mins up to 12 hrs by GFP reporter gene assay


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50465701
PNG
(CHEMBL4293495)
Show SMILES CCCCCCCCNC(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C17H25NO2/c1-2-3-4-5-6-10-13-18-17(20)14-16(19)15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,18,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa MW1 LasR assessed as inhibition of protein interaction with OdDHL by beta-galactosidase reporter gene a...


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50465700
PNG
(CHEMBL4286873)
Show SMILES O=C(CCCC1CCCCC1)N[C@H]1CCOC1=O
Show InChI InChI=1S/C14H23NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5-2-1-3-6-11/h11-12H,1-10H2,(H,15,16)/t12-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351250
PNG
(CHEMBL1818522)
Show SMILES CCCCCCCCCC(=O)CC(=O)NC1CCCCC1=O
Show InChI InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-11-15(20)14-18(22)19-16-12-9-10-13-17(16)21/h16H,2-14H2,1H3,(H,19,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Bioorg Med Chem 19: 5500-6 (2011)


Article DOI: 10.1016/j.bmc.2011.07.044
BindingDB Entry DOI: 10.7270/Q2QF8T7Q
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50350705
PNG
(CHEMBL1814827)
Show SMILES CCCC(=O)CC(=O)N[C@H]1CCSC1=O
Show InChI InChI=1S/C10H15NO3S/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa PAO1 MW1 (pUM15) LasR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by ...


Bioorg Med Chem 19: 4820-8 (2011)


Article DOI: 10.1016/j.bmc.2011.06.071
BindingDB Entry DOI: 10.7270/Q27D2W47
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50300131
PNG
(CHEMBL575294 | N-(4-bromophenylacetanoyl)-L-homose...)
Show SMILES Brc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1
Show InChI InChI=1S/C12H12BrNO3/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 1.48E+4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at GFP-fused LasR in Pseudomonas aeruginosa PAO-JP2 co-expressing LVAgfp plasmid by fluorescence assay


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50300133
PNG
(CHEMBL573744 | N-(indole-3-butanoyl)-L-homoserine ...)
Show SMILES O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCOC1=O
Show InChI InChI=1S/C16H18N2O3/c19-15(18-14-8-9-21-16(14)20)7-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19)/t14-/m0/s1
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n/an/a 1.48E+4n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50240785
PNG
((E)-1-Allyldisulfanyl-3-(prop-2-ene-1-sulfinyl)-pr...)
Show SMILES C=CCSS\C=C\CS(=O)CC=C
Show InChI InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of LasR in Pseudomonas aeruginosa reporter strain harboring gfp-lasB


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50300131
PNG
(CHEMBL575294 | N-(4-bromophenylacetanoyl)-L-homose...)
Show SMILES Brc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1
Show InChI InChI=1S/C12H12BrNO3/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 1.61E+4n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50300133
PNG
(CHEMBL573744 | N-(indole-3-butanoyl)-L-homoserine ...)
Show SMILES O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCOC1=O
Show InChI InChI=1S/C16H18N2O3/c19-15(18-14-8-9-21-16(14)20)7-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19)/t14-/m0/s1
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n/an/a 1.61E+4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at GFP-fused LasR in Pseudomonas aeruginosa PAO-JP2 co-expressing LVAgfp plasmid by fluorescence assay


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
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
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 3.00E+4n/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR


ACS Med Chem Lett 6: 162-7 (2015)


Article DOI: 10.1021/ml500459f
BindingDB Entry DOI: 10.7270/Q2CV4KF1
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50300130
PNG
(CHEMBL573745 | N-(2-cyclopentene-1-acetanoyl)-L-ho...)
Show SMILES O=C(CC1CCC=C1)N[C@H]1CCOC1=O
Show InChI InChI=1S/C11H15NO3/c13-10(7-8-3-1-2-4-8)12-9-5-6-15-11(9)14/h1,3,8-9H,2,4-7H2,(H,12,13)/t8?,9-/m0/s1
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n/an/a 3.31E+4n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
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
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
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50465703
PNG
(CHEMBL1823945)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccccc1NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H14Cl2N2O2/c21-15-7-3-5-13(11-15)19(25)23-17-9-1-2-10-18(17)24-20(26)14-6-4-8-16(22)12-14/h1-12H,(H,23,25)(H,24,26)
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa MW1 LasR assessed as inhibition of protein interaction with OdDHL by beta-galactosidase reporter gene a...


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50300132
PNG
(CHEMBL584972 | N-heptanoyl-L-homoserine lactone)
Show SMILES CCCCCCC(=O)N[C@H]1CCOC1=O
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 5.15E+4n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
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
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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n/an/a 5.36E+4n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
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
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
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)
BDBM50351506
PNG
(CHEMBL1823934)
Show SMILES O=C(CCCCCCCCCN=C=S)CC(=O)N[C@H]1CCOC1=O
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 1.34E+5n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of ONPG-induced receptor activation ...


J Med Chem 61: 10385-10402 (2018)


BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(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 LasR expressed in Escherichia coli JLD271 harboring LasR expression plasmid pJN105L and lasI-lacZ trans...


Bioorg Med Chem 26: 5336-5342 (2018)


BindingDB Entry DOI: 10.7270/Q23B62V9
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
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
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
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 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
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50350705
PNG
(CHEMBL1814827)
Show SMILES CCCC(=O)CC(=O)N[C@H]1CCSC1=O
Show InChI InChI=1S/C10H15NO3S/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa PAO1 MW1 (pUM15) LasR after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL


Bioorg Med Chem 19: 4820-8 (2011)


Article DOI: 10.1016/j.bmc.2011.06.071
BindingDB Entry DOI: 10.7270/Q27D2W47
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50350706
PNG
(CHEMBL1811922)
Show SMILES CCCCCCCCCCCC(=O)N[C@H]1CCSC1=O
Show InChI InChI=1S/C16H29NO2S/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 2.10E+4n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa PAO1 MW1 (pUM15) LasR after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL


Bioorg Med Chem 19: 4820-8 (2011)


Article DOI: 10.1016/j.bmc.2011.06.071
BindingDB Entry DOI: 10.7270/Q27D2W47
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
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 3.20E+3n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa PAO1 MW1 (pUM15) LasR after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL


Bioorg Med Chem 19: 4820-8 (2011)


Article DOI: 10.1016/j.bmc.2011.06.071
BindingDB Entry DOI: 10.7270/Q27D2W47
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PubMed
n/an/an/an/a 110n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli JLD271 harboring LasR expression plasmid pJN105L and lasI-lacZ transcri...


Bioorg Med Chem 26: 5336-5342 (2018)


BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
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