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Compile Data Set for Download or QSAR

Found 6 hits of ec50 for UniProtKB: P35327   
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 (strain ATCC 700601 / ES114))
BDBM50265811
PNG
((S)-3-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...)
Show SMILES Ic1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H14INO3/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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 300n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio fischeri ES114 LuxR receptor by luciferase reporter gene assay


Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri (strain ATCC 700601 / ES114))
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 300n/an/an/an/a


TBA



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


(Vibrio fischeri (strain ATCC 700601 / ES114))
BDBM50266234
PNG
((S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluorom...)
Show SMILES FC(F)(F)Sc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H12F3NO3S/c14-13(15,16)21-9-3-1-8(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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 350n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio fischeri ES114 LuxR receptor by luciferase reporter gene assay


Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri (strain ATCC 700601 / ES114))
BDBM50265902
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-oxotetrahydr...)
Show SMILES O=C(CCc1ccc2OCOc2c1)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C14H15NO5/c16-13(15-10-5-6-18-14(10)17)4-2-9-1-3-11-12(7-9)20-8-19-11/h1,3,7,10H,2,4-6,8H2,(H,15,16)/t10-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 370n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio fischeri ES114 LuxR receptor by luciferase reporter gene assay


Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri (strain ATCC 700601 / ES114))
BDBM50526999
PNG
(CHEBI:63789 | CHEMBL458201)
Show SMILES [H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCC |r|
Show InChI InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
n/an/an/an/a 3.00E+3n/an/an/an/a


TBA



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


(Vibrio fischeri (strain ATCC 700601 / ES114))
BDBM50266202
PNG
((S)-2-(3-cyanophenyl)-N-(2-oxotetrahydrofuran-3-yl...)
Show SMILES O=C(Cc1cccc(c1)C#N)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C13H12N2O3/c14-8-10-3-1-2-9(6-10)7-12(16)15-11-4-5-18-13(11)17/h1-3,6,11H,4-5,7H2,(H,15,16)/t11-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.00E+3n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio fischeri ES114 LuxR receptor by luciferase reporter gene assay


Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair