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Compile Data Set for Download or QSAR

Found 36 hits of ec50 for UniProtKB: P25084   
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
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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n/an/an/an/a 1.5n/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)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
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 1.5n/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)


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)
Transcriptional activator protein LasR


(Pseudomonas aeruginosa)
BDBM50080867
PNG
(CHEMBL3421671)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)Cc1cc(Br)cc(Br)c1OC(=O)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C21H17Br2N3O7/c22-13-9-12(10-17(27)24-15-3-1-2-4-16(15)26(31)32)21(14(23)11-13)33-20(30)7-8-25-18(28)5-6-19(25)29/h1-4,9,11H,5-8,10H2,(H,24,27)
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n/an/an/an/a 3.60n/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli BL21 DE3 after 4 to 6 hrs by GFP reporter gene assay


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)
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)
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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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)
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 10n/an/an/an/a



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)
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)
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 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)
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)
BDBM50468430
PNG
(CHEMBL4283085)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCCC1=O |r|
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 15n/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)


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


(Pseudomonas aeruginosa)
BDBM50080869
PNG
(CHEMBL1236450)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)NCc1cc(Br)cc(Br)c1OC(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H13Br2ClN2O5/c22-13-9-12(11-25-20(27)15-6-2-4-8-18(15)26(29)30)19(16(23)10-13)31-21(28)14-5-1-3-7-17(14)24/h1-10H,11H2,(H,25,27)
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n/an/an/an/a 28n/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Agonist 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
3D
3D Structure (crystal)
Transcriptional activator protein LasR


(Pseudomonas aeruginosa)
BDBM50468428
PNG
(CHEBI:44612 | CHEMBL1234965)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O |r|
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 30n/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)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
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 31n/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Agonist 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
3D
3D Structure (crystal)
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/an/an/a 33n/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)
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 40n/an/an/an/a



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)
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)
BDBM50527017
PNG
(CHEMBL4461584)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H13Br2ClN2O5/c22-13-9-12(11-25-20(27)14-5-1-3-7-17(14)24)19(16(23)10-13)31-21(28)15-6-2-4-8-18(15)26(29)30/h1-10H,11H2,(H,25,27)
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n/an/an/an/a 71n/an/an/an/a



Larkin University

Curated by ChEMBL


Assay Description
Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115282
BindingDB Entry DOI: 10.7270/Q2PN992D
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
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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)


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


(Pseudomonas aeruginosa)
BDBM50080868
PNG
(CHEMBL3421670)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)NCc1cc(Br)cc(Br)c1OC(=O)CCCN1C(=O)CCC1=O
Show InChI InChI=1S/C22H19Br2N3O7/c23-14-10-13(12-25-22(31)15-4-1-2-5-17(15)27(32)33)21(16(24)11-14)34-20(30)6-3-9-26-18(28)7-8-19(26)29/h1-2,4-5,10-11H,3,6-9,12H2,(H,25,31)
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n/an/an/an/a 119n/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli BL21 DE3 after 4 to 6 hrs by GFP reporter gene assay


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)
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 139n/an/an/an/a



Larkin University

Curated by ChEMBL


Assay Description
Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115282
BindingDB Entry DOI: 10.7270/Q2PN992D
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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n/an/an/an/a 150n/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)
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 162n/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)


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


(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/an/an/a 256n/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)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
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 |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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n/an/an/an/a 540n/an/an/an/a



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)
BDBM50468429
PNG
(CHEMBL4279608)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1 |r|
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 906n/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)


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


(Pseudomonas aeruginosa)
BDBM50468424
PNG
(CHEMBL4287516)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCO[C@@H]1O |r|
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 1.88E+3n/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)


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


(Pseudomonas aeruginosa)
BDBM50526977
PNG
(CHEMBL4462112)
Show SMILES O=C(CSC#N)CC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C9H10N2O4S/c10-5-16-4-6(12)3-8(13)11-7-1-2-15-9(7)14/h7H,1-4H2,(H,11,13)/t7-/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



Larkin University

Curated by ChEMBL


Assay Description
Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115282
BindingDB Entry DOI: 10.7270/Q2PN992D
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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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)
BDBM50527004
PNG
(CHEMBL4450449)
Show SMILES Brc1cccc(OCC(=O)N[C@H]2CCSC2=O)c1 |r|
Show InChI InChI=1S/C12H12BrNO3S/c13-8-2-1-3-9(6-8)17-7-11(15)14-10-4-5-18-12(10)16/h1-3,6,10H,4-5,7H2,(H,14,15)/t10-/m0/s1
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n/an/an/an/a 4.20E+3n/an/an/an/a



Larkin University

Curated by ChEMBL


Assay Description
Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115282
BindingDB Entry DOI: 10.7270/Q2PN992D
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 |r|
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)
BDBM50527002
PNG
(CHEMBL4444462)
Show SMILES CCC(=O)CC(=O)Nc1ccccc1O
Show InChI InChI=1S/C11H13NO3/c1-2-8(13)7-11(15)12-9-5-3-4-6-10(9)14/h3-6,14H,2,7H2,1H3,(H,12,15)
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n/an/an/an/a 1.70E+4n/an/an/an/a



Larkin University

Curated by ChEMBL


Assay Description
Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115282
BindingDB Entry DOI: 10.7270/Q2PN992D
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 |r|
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)
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/an/an/a 1.40E+5n/an/an/an/a



Larkin University

Curated by ChEMBL


Assay Description
Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115282
BindingDB Entry DOI: 10.7270/Q2PN992D
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 |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/an/an/a>2.00E+5n/an/an/an/a



Larkin University

Curated by ChEMBL


Assay Description
Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115282
BindingDB Entry DOI: 10.7270/Q2PN992D
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/an/an/a>2.00E+5n/an/an/an/a



Larkin University

Curated by ChEMBL


Assay Description
Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115282
BindingDB Entry DOI: 10.7270/Q2PN992D
More data for this
Ligand-Target Pair
Transcriptional activator protein LasR


(Pseudomonas aeruginosa)
BDBM50527003
PNG
(CHEMBL4522587)
Show SMILES CCC(=O)CC(=O)NC1CCCCC1=O
Show InChI InChI=1S/C11H17NO3/c1-2-8(13)7-11(15)12-9-5-3-4-6-10(9)14/h9H,2-7H2,1H3,(H,12,15)
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n/an/an/an/a>2.00E+5n/an/an/an/a



Larkin University

Curated by ChEMBL


Assay Description
Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115282
BindingDB Entry DOI: 10.7270/Q2PN992D
More data for this
Ligand-Target Pair