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PubMed code 22748707

Compile data set for download or QSAR
Found 8 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)
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

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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)
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

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CHEMBL
PC cid
PC sid
UniChem

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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)
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
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CHEMBL
PC cid
PC sid
UniChem

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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)
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)
BDBM50389275
PNG
(CHEMBL2063589)
Show SMILES CCCCCCn1nnnc1CC(=O)OCC
Show InChI InChI=1S/C11H20N4O2/c1-3-5-6-7-8-15-10(12-13-14-15)9-11(16)17-4-2/h3-9H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/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)
BDBM50389276
PNG
(CHEMBL2063590)
Show SMILES CCCCn1nnnc1C1CCOC1=O
Show InChI InChI=1S/C9H14N4O2/c1-2-3-5-13-8(10-11-12-13)7-4-6-15-9(7)14/h7H,2-6H2,1H3
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/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)
BDBM50389278
PNG
(CHEMBL2063592)
Show SMILES CCCCCc1nnnn1C1CCOC1=O
Show InChI InChI=1S/C10H16N4O2/c1-2-3-4-5-9-11-12-13-14(9)8-6-7-16-10(8)15/h8H,2-7H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 coexpressing LuxCDABE assessed as activation of 3-oxoC6-HSL-induced quor...


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)
BDBM50389279
PNG
(CHEMBL2063593)
Show SMILES CCCCCCc1nnnn1C1CCOC1=O
Show InChI InChI=1S/C11H18N4O2/c1-2-3-4-5-6-10-12-13-14-15(10)9-7-8-17-11(9)16/h9H,2-8H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.50E+4n/an/an/an/a



INSA Lyon

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 coexpressing LuxCDABE assessed as activation of 3-oxoC6-HSL-induced quor...


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
* indicates data uncertainty>20%