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Compile Data Set for Download or QSAR

Found 83 hits Enz. Inhib. hit(s) with Target = 'Transcriptional activator protein luxR' AND taxid = 668   
Target
(Institution)
LigandTarget
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)
BDBM50350709
PNG
(CHEMBL1812080)
Show SMILES CCCCCCCC(=O)N[C@H]1CCSC1=O
Show InChI InChI=1S/C12H21NO2S/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by bet...


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50350708
PNG
(CHEMBL1814832)
Show SMILES CCCCCCC(=O)N[C@H]1CCSC1=O
Show InChI InChI=1S/C11H19NO2S/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by bet...


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50350704
PNG
(CHEMBL1814829)
Show SMILES CCCCCC(=O)CC(=O)N[C@H]1CCSC1=O
Show InChI InChI=1S/C12H19NO3S/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by bet...


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50350711
PNG
(CHEMBL1812089)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)N[C@H]1CCSC1=O
Show InChI InChI=1S/C18H17NO2S/c20-17(19-16-10-11-22-18(16)21)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,19,20)/t16-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by bet...


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50351509
PNG
(CHEMBL8799)
Show SMILES CCCCCCCCCC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50350703
PNG
(CHEMBL1814828)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCSC1=O
Show InChI InChI=1S/C16H27NO3S/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by bet...


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


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



The Scripps Research Institute

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50350710
PNG
(CHEMBL1812087)
Show SMILES Brc1ccc(CC(=O)N[C@H]2CCSC2=O)cc1
Show InChI InChI=1S/C12H12BrNO2S/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by bet...


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


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



The Scripps Research Institute

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50350707
PNG
(CHEMBL1814831)
Show SMILES CCCCCC(=O)N[C@H]1CCSC1=O
Show InChI InChI=1S/C10H17NO2S/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
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n/an/a 840n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by bet...


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


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



The Scripps Research Institute

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


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



The Scripps Research Institute

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


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



The Scripps Research Institute

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50373055
PNG
(CHEMBL408369)
Show SMILES CCCCCCNS(=O)(=O)NC1CCOC1=O
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50373052
PNG
(CHEMBL404926)
Show SMILES O=C1OCCC1NS(=O)(=O)NCc1ccccc1
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


Citation and Details
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


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