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PubMed code 18625553

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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)
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)
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

Curated by ChEMBL


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


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


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


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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
* indicates data uncertainty>20%