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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for UniProtKB: P12746   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50241431
PNG
((S)-2-(3-nitrophenyl)-N-(2-oxo-tetrahydrofuran-3-y...)
Show SMILES [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCOC2=O)c1 |r|
Show InChI InChI=1S/C12H12N2O5/c15-11(13-10-4-5-19-12(10)16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10H,4-5,7H2,(H,13,15)/t10-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 350n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio fischeri luxR receptor in absence of natural autoinducer


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
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
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)
BDBM50350712
PNG
(CHEMBL1812084)
Show SMILES [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCSC2=O)c1 |r|
Show InChI InChI=1S/C12H12N2O4S/c15-11(13-10-4-5-19-12(10)16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10H,4-5,7H2,(H,13,15)/t10-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10E+4n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL


Bioorg Med Chem 19: 4820-8 (2011)


Article DOI: 10.1016/j.bmc.2011.06.071
BindingDB Entry DOI: 10.7270/Q27D2W47
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
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