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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'reverchon' and Initial = 's'   
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



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)
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



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)
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



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)
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



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)
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



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)
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



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)
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



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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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
Transcriptional activator protein LuxR


(Vibrio fischeri)
BDBM50262516
PNG
(CHEMBL478391 | N-(4-bromo-2-oxo-2,5-dihydrofuran-3...)
Show SMILES BrC1=C(NC(=O)CCCc2ccccc2)C(=O)OC1 |c:1|
Show InChI InChI=1S/C14H14BrNO3/c15-11-9-19-14(18)13(11)16-12(17)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,16,17)
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n/an/a 8.40E+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)
BDBM50262464
PNG
(CHEMBL478634 | N-(2-oxo-2,5-dihydrofuran-3-yl)hexa...)
Show SMILES CCCCCC(=O)NC1=CCOC1=O |t:8|
Show InChI InChI=1S/C10H15NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h6H,2-5,7H2,1H3,(H,11,12)
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n/an/a 8.50E+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)
BDBM50350667
PNG
(CHEMBL1813560)
Show SMILES CCCCCCCCCCCCCCCCCCn1cc[n+](c1)C1CCCC1
Show InChI InChI=1S/C26H49N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-23-24-28(25-27)26-20-17-18-21-26/h23-26H,2-22H2,1H3/q+1
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n/an/a 8.60E+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
Transcriptional activator protein LuxR


(Vibrio fischeri)
BDBM50350645
PNG
(CHEMBL1813532)
Show SMILES CCCCCCn1cc[n+](c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H27N2/c1-2-3-4-11-16-23-17-18-24(19-23)22(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,17-19,22H,2-4,11,16H2,1H3/q+1
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n/an/a 1.53E+5n/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