BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'sabbah' and Initial = 'm'   
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
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50527800
PNG
(CHEMBL4591748)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C16H15FN2O2S2/c1-10-14-8-12(17)5-6-15(14)22-16(10)23(20,21)19-13-4-2-3-11(7-13)9-18/h2-8,19H,9,18H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-SUMO tagged Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21(DE3) at preincubated for 10 mins with NADH...

J Med Chem 63: 4749-4761 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00007
BindingDB Entry DOI: 10.7270/Q2Z3233P
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50527797
PNG
(CHEMBL4435863)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C16H15ClN2O2S2/c1-10-14-8-12(17)5-6-15(14)22-16(10)23(20,21)19-13-4-2-3-11(7-13)9-18/h2-8,19H,9,18H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-SUMO tagged Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21(DE3) at preincubated for 10 mins with NADH...

J Med Chem 63: 4749-4761 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00007
BindingDB Entry DOI: 10.7270/Q2Z3233P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50527801
PNG
(CHEMBL4444080)
Show SMILES NCc1cccc(NS(=O)(=O)\C=C\c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C16H15F3N2O2S/c17-16(18,19)14-5-1-3-12(9-14)7-8-24(22,23)21-15-6-2-4-13(10-15)11-20/h1-10,21H,11,20H2/b8-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-SUMO tagged Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21(DE3) at preincubated for 10 mins with NADH...

J Med Chem 63: 4749-4761 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00007
BindingDB Entry DOI: 10.7270/Q2Z3233P
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50527798
PNG
(CHEMBL4439827)
Show SMILES NCc1cccc(NS(=O)(=O)c2cc3ccccc3s2)c1
Show InChI InChI=1S/C15H14N2O2S2/c16-10-11-4-3-6-13(8-11)17-21(18,19)15-9-12-5-1-2-7-14(12)20-15/h1-9,17H,10,16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-SUMO tagged Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21(DE3) at preincubated for 10 mins with NADH...

J Med Chem 63: 4749-4761 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00007
BindingDB Entry DOI: 10.7270/Q2Z3233P
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50527796
PNG
(CHEMBL4473331)
Show SMILES NCc1ccc(NS(=O)(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H15F3N2O2S/c17-16(18,19)14-3-1-2-12(10-14)8-9-24(22,23)21-15-6-4-13(11-20)5-7-15/h1-10,21H,11,20H2/b9-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-SUMO tagged Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21(DE3) at preincubated for 10 mins with NADH...

J Med Chem 63: 4749-4761 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00007
BindingDB Entry DOI: 10.7270/Q2Z3233P
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50527802
PNG
(CHEMBL4541593)
Show SMILES NCc1cccc(NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C15H14N2O3S/c16-10-11-4-3-6-13(8-11)17-21(18,19)15-9-12-5-1-2-7-14(12)20-15/h1-9,17H,10,16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-SUMO tagged Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21(DE3) at preincubated for 10 mins with NADH...

J Med Chem 63: 4749-4761 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00007
BindingDB Entry DOI: 10.7270/Q2Z3233P
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
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)		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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.00E+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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		BDBM50356107
PNG
(CHEMBL1911960)
Show SMILES CCCCCCCCNC(=O)C1CCCC1=O
Show InChI InChI=1S/C14H25NO2/c1-2-3-4-5-6-7-11-15-14(17)12-9-8-10-13(12)16/h12H,2-11H2,1H3,(H,15,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.70E+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)		BDBM50389277
PNG
(CHEMBL2063591)
Show SMILES CCCCCn1nnnc1C1CCOC1=O
Show InChI InChI=1S/C10H16N4O2/c1-2-3-4-6-14-9(11-12-13-14)8-5-7-16-10(8)15/h8H,2-7H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.00E+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 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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)		BDBM61401
PNG
(3,3-diphenyl-N-(1-phenylethyl)-1-propanamine;hydro...)
Show SMILES CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.10E+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)		BDBM50017376
PNG
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 9.20E+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)		BDBM50389273
PNG
(CHEMBL2063594)
Show SMILES CCCCCc1cn(CC(=O)OCC)nn1
Show InChI InChI=1S/C11H19N3O2/c1-3-5-6-7-10-8-14(13-12-10)9-11(15)16-4-2/h8H,3-7,9H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40E+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)		BDBM50356103
PNG
(CHEMBL1911952)
Show SMILES CCCCNC(=O)C1CCOC1=O
Show InChI InChI=1S/C9H15NO3/c1-2-3-5-10-8(11)7-4-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.60E+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)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
Displayed 1 to 50 (of 58 total )  |  Next  |  Last  >>
Jump to: