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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'doutheau' and Initial = 'a'   
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 LuxR


(Vibrio fischeri)		BDBM50350660
PNG
(CHEMBL1813552)
Show SMILES CCCCCCCCCCCCn1cc[n+](c1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C28H37N2/c1-2-3-4-5-6-7-8-9-10-15-20-29-21-22-30(23-29)28-26-18-13-11-16-24(26)25-17-12-14-19-27(25)28/h11-14,16-19,21-23,28H,2-10,15,20H2,1H3/q+1
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n/an/a 1.40E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50373056
PNG
(CHEMBL261163)
Show SMILES CCCCCNS(=O)(=O)NC1CCOC1=O
Show InChI InChI=1S/C9H18N2O4S/c1-2-3-4-6-10-16(13,14)11-8-5-7-15-9(8)12/h8,10-11H,2-7H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence

Bioorg Med Chem 16: 3550-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.023
BindingDB Entry DOI: 10.7270/Q2X63NTT
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350661
PNG
(CHEMBL1813553)
Show SMILES CCCCCCCCCCCCCCn1cc[n+](c1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C30H41N2/c1-2-3-4-5-6-7-8-9-10-11-12-17-22-31-23-24-32(25-31)30-28-20-15-13-18-26(28)27-19-14-16-21-29(27)30/h13-16,18-21,23-25,30H,2-12,17,22H2,1H3/q+1
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n/an/a 2.70E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50373048
PNG
(CHEMBL184106)
Show SMILES CCCCCS(=O)(=O)NC1CCOC1=O
Show InChI InChI=1S/C9H17NO4S/c1-2-3-4-7-15(12,13)10-8-5-6-14-9(8)11/h8,10H,2-7H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence

Bioorg Med Chem 16: 3550-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.023
BindingDB Entry DOI: 10.7270/Q2X63NTT
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350666
PNG
(CHEMBL1813558)
Show SMILES CCCCCCCCCCCCCCn1cc[n+](c1)C1CCCC1
Show InChI InChI=1S/C22H41N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-19-20-24(21-23)22-16-13-14-17-22/h19-22H,2-18H2,1H3/q+1
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n/an/a 3.40E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50373057
PNG
(CHEMBL261162)
Show SMILES CCCCNS(=O)(=O)NC1CCOC1=O
Show InChI InChI=1S/C8H16N2O4S/c1-2-3-5-9-15(12,13)10-7-4-6-14-8(7)11/h7,9-10H,2-6H2,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence

Bioorg Med Chem 16: 3550-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.023
BindingDB Entry DOI: 10.7270/Q2X63NTT
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350659
PNG
(CHEMBL1813551)
Show SMILES CCCCCCCCCCn1cc[n+](c1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C26H33N2/c1-2-3-4-5-6-7-8-13-18-27-19-20-28(21-27)26-24-16-11-9-14-22(24)23-15-10-12-17-25(23)26/h9-12,14-17,19-21,26H,2-8,13,18H2,1H3/q+1
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n/an/a 4.00E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350669
PNG
(CHEMBL1813546)
Show SMILES CCCCCCCCCCn1cc[n+](c1)C(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H31Cl4N2/c1-2-3-4-5-6-7-8-9-14-31-15-16-32(19-31)26(22-12-10-20(27)17-24(22)29)23-13-11-21(28)18-25(23)30/h10-13,15-19,26H,2-9,14H2,1H3/q+1
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n/an/a 4.90E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50373055
PNG
(CHEMBL408369)
Show SMILES CCCCCCNS(=O)(=O)NC1CCOC1=O |w:11.10|
Show InChI InChI=1S/C10H20N2O4S/c1-2-3-4-5-7-11-17(14,15)12-9-6-8-16-10(9)13/h9,11-12H,2-8H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence

Bioorg Med Chem 16: 3550-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.023
BindingDB Entry DOI: 10.7270/Q2X63NTT
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50373047
PNG
(CHEMBL260235)
Show SMILES CCCCNC(=O)NC1CCOC1=O
Show InChI InChI=1S/C9H16N2O3/c1-2-3-5-10-9(13)11-7-4-6-14-8(7)12/h7H,2-6H2,1H3,(H2,10,11,13)
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n/an/a 5.00E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence

Bioorg Med Chem 16: 3550-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.023
BindingDB Entry DOI: 10.7270/Q2X63NTT
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350649
PNG
(CHEMBL1813536)
Show SMILES CCCCCCCCCCCCCCn1cc[n+](c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H43N2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-31-25-26-32(27-31)30(28-20-15-13-16-21-28)29-22-17-14-18-23-29/h13-18,20-23,25-27,30H,2-12,19,24H2,1H3/q+1
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n/an/a 5.20E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350670
PNG
(CHEMBL1813559)
Show SMILES CCCCCCCCCCCCCCCCn1cc[n+](c1)C1CCCC1
Show InChI InChI=1S/C24H45N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-21-22-26(23-25)24-18-15-16-19-24/h21-24H,2-20H2,1H3/q+1
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n/an/a 5.30E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350653
PNG
(CHEMBL1813540)
Show SMILES CCCCCCCCCCn1cc[n+](c1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H33Cl2N2/c1-2-3-4-5-6-7-8-9-18-29-19-20-30(21-29)26(22-10-14-24(27)15-11-22)23-12-16-25(28)17-13-23/h10-17,19-21,26H,2-9,18H2,1H3/q+1
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n/an/a 5.80E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350648
PNG
(CHEMBL1813535)
Show SMILES CCCCCCCCCCCCn1cc[n+](c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H39N2/c1-2-3-4-5-6-7-8-9-10-17-22-29-23-24-30(25-29)28(26-18-13-11-14-19-26)27-20-15-12-16-21-27/h11-16,18-21,23-25,28H,2-10,17,22H2,1H3/q+1
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n/an/a 6.10E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350654
PNG
(CHEMBL1813541)
Show SMILES CCCCCCCCCCCCn1cc[n+](c1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37Cl2N2/c1-2-3-4-5-6-7-8-9-10-11-20-31-21-22-32(23-31)28(24-12-16-26(29)17-13-24)25-14-18-27(30)19-15-25/h12-19,21-23,28H,2-11,20H2,1H3/q+1
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n/an/a 6.20E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50373052
PNG
(CHEMBL404926)
Show SMILES O=C1OCCC1NS(=O)(=O)NCc1ccccc1 |w:5.6|
Show InChI InChI=1S/C11H14N2O4S/c14-11-10(6-7-17-11)13-18(15,16)12-8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2
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n/an/a 6.40E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence

Bioorg Med Chem 16: 3550-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.023
BindingDB Entry DOI: 10.7270/Q2X63NTT
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350657
PNG
(CHEMBL1813547)
Show SMILES CCCCCCCCCCCCn1cc[n+](c1)C(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H35Cl4N2/c1-2-3-4-5-6-7-8-9-10-11-16-33-17-18-34(21-33)28(24-14-12-22(29)19-26(24)31)25-15-13-23(30)20-27(25)32/h12-15,17-21,28H,2-11,16H2,1H3/q+1
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n/an/a 6.50E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50262515
PNG
(CHEMBL453930 | N-(4-bromo-2-oxo-2,5-dihydrofuran-3...)
Show SMILES CCCCCC(=O)NC1=C(Br)COC1=O |c:8|
Show InChI InChI=1S/C10H14BrNO3/c1-2-3-4-5-8(13)12-9-7(11)6-15-10(9)14/h2-6H2,1H3,(H,12,13)
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n/an/a 6.50E+3n/an/an/an/an/an/a



INSA

Curated by ChEMBL


Assay Description
Inhibition of LuxR-dependent Vibrio fischeri quorum sensing assessed as reduction in 3-oxo-hexanoyihomoserine-induced bioluminescence

Bioorg Med Chem Lett 18: 4321-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.090
BindingDB Entry DOI: 10.7270/Q23B5ZXK
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50262517
PNG
(CHEMBL448263 | N-(4-chloro-2-oxo-2,5-dihydrofuran-...)
Show SMILES CCCCCC(=O)NC1=C(Cl)COC1=O |c:8|
Show InChI InChI=1S/C10H14ClNO3/c1-2-3-4-5-8(13)12-9-7(11)6-15-10(9)14/h2-6H2,1H3,(H,12,13)
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n/an/a 6.90E+3n/an/an/an/an/an/a



INSA

Curated by ChEMBL


Assay Description
Inhibition of LuxR-dependent Vibrio fischeri quorum sensing assessed as reduction in 3-oxo-hexanoyihomoserine-induced bioluminescence

Bioorg Med Chem Lett 18: 4321-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.090
BindingDB Entry DOI: 10.7270/Q23B5ZXK
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50323389
PNG
(CHEMBL1208858 | Calmidazolium)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)[n+]1ccn(CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1
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n/an/a 7.00E+3n/an/an/an/an/an/a



INSA

Curated by ChEMBL


Assay Description
Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity

Bioorg Med Chem Lett 20: 4355-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.081
BindingDB Entry DOI: 10.7270/Q27945N0
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50373054
PNG
(CHEMBL408296)
Show SMILES CCCCCCCCNS(=O)(=O)NC1CCOC1=O
Show InChI InChI=1S/C12H24N2O4S/c1-2-3-4-5-6-7-9-13-19(16,17)14-11-8-10-18-12(11)15/h11,13-14H,2-10H2,1H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence

Bioorg Med Chem 16: 3550-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.023
BindingDB Entry DOI: 10.7270/Q2X63NTT
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350650
PNG
(CHEMBL1813537)
Show SMILES CCCCCCCCCCCCCCCCn1cc[n+](c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H47N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-33-27-28-34(29-33)32(30-22-17-15-18-23-30)31-24-19-16-20-25-31/h15-20,22-25,27-29,32H,2-14,21,26H2,1H3/q+1
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n/an/a 7.30E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50373053
PNG
(CHEMBL260905)
Show SMILES CCCCCCCCCCNS(=O)(=O)NC1CCOC1=O
Show InChI InChI=1S/C14H28N2O4S/c1-2-3-4-5-6-7-8-9-11-15-21(18,19)16-13-10-12-20-14(13)17/h13,15-16H,2-12H2,1H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence

Bioorg Med Chem 16: 3550-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.023
BindingDB Entry DOI: 10.7270/Q2X63NTT
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350668
PNG
(CHEMBL1813545)
Show SMILES CCCCCCCCn1cc[n+](c1)C(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H27Cl4N2/c1-2-3-4-5-6-7-12-29-13-14-30(17-29)24(20-10-8-18(25)15-22(20)27)21-11-9-19(26)16-23(21)28/h8-11,13-17,24H,2-7,12H2,1H3/q+1
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n/an/a 8.90E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50373050
PNG
(CHEMBL258584)
Show SMILES O=C1OCCC1NS(=O)(=O)NCCCc1ccccc1
Show InChI InChI=1S/C13H18N2O4S/c16-13-12(8-10-19-13)15-20(17,18)14-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,14-15H,4,7-10H2
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n/an/a 9.40E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence

Bioorg Med Chem 16: 3550-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.023
BindingDB Entry DOI: 10.7270/Q2X63NTT
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350652
PNG
(CHEMBL1813539)
Show SMILES CCCCCCCCn1cc[n+](c1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H29Cl2N2/c1-2-3-4-5-6-7-16-27-17-18-28(19-27)24(20-8-12-22(25)13-9-20)21-10-14-23(26)15-11-21/h8-15,17-19,24H,2-7,16H2,1H3/q+1
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n/an/a 9.80E+3n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350665
PNG
(CHEMBL1813557)
Show SMILES CCCCCCCCCCCCn1cc[n+](c1)C1CCCC1
Show InChI InChI=1S/C20H37N2/c1-2-3-4-5-6-7-8-9-10-13-16-21-17-18-22(19-21)20-14-11-12-15-20/h17-20H,2-16H2,1H3/q+1
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n/an/a 1.10E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50373051
PNG
(CHEMBL404924)
Show SMILES O=C1OCCC1NS(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H16N2O4S/c15-12-11(7-9-18-12)14-19(16,17)13-8-6-10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence

Bioorg Med Chem 16: 3550-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.023
BindingDB Entry DOI: 10.7270/Q2X63NTT
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50373049
PNG
(CHEMBL408121)
Show SMILES O=C1OCCC1NS(=O)(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C14H20N2O4S/c17-14-13(9-11-20-14)16-21(18,19)15-10-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13,15-16H,4-5,8-11H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence

Bioorg Med Chem 16: 3550-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.023
BindingDB Entry DOI: 10.7270/Q2X63NTT
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350662
PNG
(CHEMBL1813554)
Show SMILES CCCCCCCCCCCCCCCCn1cc[n+](c1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C32H45N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-33-25-26-34(27-33)32-30-22-17-15-20-28(30)29-21-16-18-23-31(29)32/h15-18,20-23,25-27,32H,2-14,19,24H2,1H3/q+1
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n/an/a 1.47E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350647
PNG
(CHEMBL1813534)
Show SMILES CCCCCCCCCCn1cc[n+](c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H35N2/c1-2-3-4-5-6-7-8-15-20-27-21-22-28(23-27)26(24-16-11-9-12-17-24)25-18-13-10-14-19-25/h9-14,16-19,21-23,26H,2-8,15,20H2,1H3/q+1
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n/an/a 1.80E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50028094
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



INSA

Curated by ChEMBL


Assay Description
Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity

Bioorg Med Chem Lett 20: 4355-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.081
BindingDB Entry DOI: 10.7270/Q27945N0
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350664
PNG
(CHEMBL1813556)
Show SMILES CCCCCCCCCCn1cc[n+](c1)C1CCCC1
Show InChI InChI=1S/C18H33N2/c1-2-3-4-5-6-7-8-11-14-19-15-16-20(17-19)18-12-9-10-13-18/h15-18H,2-14H2,1H3/q+1
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n/an/a 3.30E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50356098
PNG
(CHEMBL1911953)
Show SMILES CCCCCNC(=O)C1CCOC1=O
Show InChI InChI=1S/C10H17NO3/c1-2-3-4-6-11-9(12)8-5-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)
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n/an/a 3.40E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 containing Photorhabdus luminescens LuxCDABE assessed as inhibition o...

Bioorg Med Chem Lett 21: 6876-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.010
BindingDB Entry DOI: 10.7270/Q20K290Z
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350658
PNG
(CHEMBL1813550)
Show SMILES CCCCCCCCn1cc[n+](c1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C24H29N2/c1-2-3-4-5-6-11-16-25-17-18-26(19-25)24-22-14-9-7-12-20(22)21-13-8-10-15-23(21)24/h7-10,12-15,17-19,24H,2-6,11,16H2,1H3/q+1
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n/an/a 3.50E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50356106
PNG
(CHEMBL1911959)
Show SMILES CCCCCNC(=O)C1CCCC1=O
Show InChI InChI=1S/C11H19NO2/c1-2-3-4-8-12-11(14)9-6-5-7-10(9)13/h9H,2-8H2,1H3,(H,12,14)
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n/an/a 4.00E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 containing Photorhabdus luminescens LuxCDABE assessed as inhibition o...

Bioorg Med Chem Lett 21: 6876-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.010
BindingDB Entry DOI: 10.7270/Q20K290Z
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 4.00E+4n/an/an/an/an/an/a



INSA

Curated by ChEMBL


Assay Description
Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity

Bioorg Med Chem Lett 20: 4355-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.081
BindingDB Entry DOI: 10.7270/Q27945N0
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50389272
PNG
(CHEMBL2063565)
Show SMILES CCCCCc1cn(nn1)C1CCOC1=O
Show InChI InChI=1S/C11H17N3O2/c1-2-3-4-5-9-8-14(13-12-9)10-6-7-16-11(10)15/h8,10H,2-7H2,1H3
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n/an/a 5.10E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 coexpressing LuxCDABE assessed as inhibition of 3-oxoC6-HSL-induced q...

Bioorg Med Chem 20: 4727-36 (2012)


Article DOI: 10.1016/j.bmc.2012.06.007
BindingDB Entry DOI: 10.7270/Q2DR2WK2
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50356104
PNG
(CHEMBL1911955)
Show SMILES CCCCCCCCNC(=O)C1CCOC1=O
Show InChI InChI=1S/C13H23NO3/c1-2-3-4-5-6-7-9-14-12(15)11-8-10-17-13(11)16/h11H,2-10H2,1H3,(H,14,15)
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n/an/a 5.20E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 containing Photorhabdus luminescens LuxCDABE assessed as inhibition o...

Bioorg Med Chem Lett 21: 6876-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.010
BindingDB Entry DOI: 10.7270/Q20K290Z
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350656
PNG
(CHEMBL1813544)
Show SMILES CCCCCCn1cc[n+](c1)C(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H23Cl4N2/c1-2-3-4-5-10-27-11-12-28(15-27)22(18-8-6-16(23)13-20(18)25)19-9-7-17(24)14-21(19)26/h6-9,11-15,22H,2-5,10H2,1H3/q+1
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n/an/a 5.20E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50356099
PNG
(CHEMBL1911954)
Show SMILES CCCCCCNC(=O)C1CCOC1=O
Show InChI InChI=1S/C11H19NO3/c1-2-3-4-5-7-12-10(13)9-6-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)
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n/an/a 5.40E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 containing Photorhabdus luminescens LuxCDABE assessed as inhibition o...

Bioorg Med Chem Lett 21: 6876-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.010
BindingDB Entry DOI: 10.7270/Q20K290Z
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50262465
PNG
(3-oxo-N-(2-oxo-2,5-dihydrofuran-3-yl)hexanamide | ...)
Show SMILES CCCC(=O)CC(=O)NC1=CCOC1=O |t:9|
Show InChI InChI=1S/C10H13NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h4H,2-3,5-6H2,1H3,(H,11,13)
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n/an/a 5.50E+4n/an/an/an/an/an/a



INSA

Curated by ChEMBL


Assay Description
Inhibition of LuxR-dependent Vibrio fischeri quorum sensing assessed as reduction in 3-oxo-hexanoyihomoserine-induced bioluminescence

Bioorg Med Chem Lett 18: 4321-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.090
BindingDB Entry DOI: 10.7270/Q23B5ZXK
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50097224
PNG
(1-Methyl-4-thioxanthen-9-ylidene-piperidine | 1-me...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccccc2-[#16]-c2ccccc-12
Show InChI InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3
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n/an/a 5.60E+4n/an/an/an/an/an/a



INSA

Curated by ChEMBL


Assay Description
Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity

Bioorg Med Chem Lett 20: 4355-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.081
BindingDB Entry DOI: 10.7270/Q27945N0
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350651
PNG
(CHEMBL1813538)
Show SMILES CCCCCCn1cc[n+](c1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25Cl2N2/c1-2-3-4-5-14-25-15-16-26(17-25)22(18-6-10-20(23)11-7-18)19-8-12-21(24)13-9-19/h6-13,15-17,22H,2-5,14H2,1H3/q+1
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n/an/a 6.30E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350663
PNG
(CHEMBL1813555)
Show SMILES CCCCCCCCn1cc[n+](c1)C1CCCC1
Show InChI InChI=1S/C16H29N2/c1-2-3-4-5-6-9-12-17-13-14-18(15-17)16-10-7-8-11-16/h13-16H,2-12H2,1H3/q+1
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n/an/a 6.80E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50356101
PNG
(CHEMBL1911963)
Show SMILES CCCCCNS(=O)(=O)C1CCOC1=O
Show InChI InChI=1S/C9H17NO4S/c1-2-3-4-6-10-15(12,13)8-5-7-14-9(8)11/h8,10H,2-7H2,1H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 containing Photorhabdus luminescens LuxCDABE assessed as inhibition o...

Bioorg Med Chem Lett 21: 6876-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.010
BindingDB Entry DOI: 10.7270/Q20K290Z
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50389274
PNG
(CHEMBL2063588)
Show SMILES CCCCCCn1nnnc1C1CCOC1=O
Show InChI InChI=1S/C11H18N4O2/c1-2-3-4-5-7-15-10(12-13-14-15)9-6-8-17-11(9)16/h9H,2-8H2,1H3
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n/an/a 7.40E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 coexpressing LuxCDABE assessed as inhibition of 3-oxoC6-HSL-induced q...

Bioorg Med Chem 20: 4727-36 (2012)


Article DOI: 10.1016/j.bmc.2012.06.007
BindingDB Entry DOI: 10.7270/Q2DR2WK2
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50356105
PNG
(CHEMBL1911956)
Show SMILES CCCCCCCCCCNC(=O)C1CCOC1=O
Show InChI InChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-9-11-16-14(17)13-10-12-19-15(13)18/h13H,2-12H2,1H3,(H,16,17)
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n/an/a 7.50E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 containing Photorhabdus luminescens LuxCDABE assessed as inhibition o...

Bioorg Med Chem Lett 21: 6876-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.010
BindingDB Entry DOI: 10.7270/Q20K290Z
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350655
PNG
(CHEMBL1813542)
Show SMILES CCCCCCCCCCCCCCn1cc[n+](c1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H41Cl2N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-33-23-24-34(25-33)30(26-14-18-28(31)19-15-26)27-16-20-29(32)21-17-27/h14-21,23-25,30H,2-13,22H2,1H3/q+1
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n/an/a 7.50E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri)		BDBM50350646
PNG
(CHEMBL1813533)
Show SMILES CCCCCCCCn1cc[n+](c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H31N2/c1-2-3-4-5-6-13-18-25-19-20-26(21-25)24(22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,19-21,24H,2-6,13,18H2,1H3/q+1
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n/an/a 7.60E+4n/an/an/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence

Bioorg Med Chem 19: 4868-75 (2011)


Article DOI: 10.1016/j.bmc.2011.06.075
BindingDB Entry DOI: 10.7270/Q2CC112H
More data for this
Ligand-Target Pair
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