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Compile Data Set for Download or QSAR

Found 20 hits of ec50 data for polymerid = 50004387   
Target
(Institution)
LigandTarget
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
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50165862
PNG
((4S)-4,5-dihydroxypentane-2,3-dione | (S)-4,5-dihy...)
Show SMILES CC(O)C(=O)C(=O)CO
Show InChI InChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h3,6-7H,2H2,1H3
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n/an/an/an/a 32n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decrease in FRET ratio


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50165862
PNG
((4S)-4,5-dihydroxypentane-2,3-dione | (S)-4,5-dihy...)
Show SMILES CC(O)C(=O)C(=O)CO
Show InChI InChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h3,6-7H,2H2,1H3
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n/an/an/an/a 76n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of bioluminescence after 5 hrs 30 mins


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50362021
PNG
(CHEMBL1939887 | CHEMBL1939889)
Show SMILES CC(O)C(=O)C(=O)[C@H](C)O
Show InChI InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h3-4,7-8H,1-2H3/t3-,4?/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decrease in FRET ratio


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50165862
PNG
((4S)-4,5-dihydroxypentane-2,3-dione | (S)-4,5-dihy...)
Show SMILES CC(O)C(=O)C(=O)CO
Show InChI InChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h3,6-7H,2H2,1H3
PDB
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n/an/an/an/a 150n/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assay


Bioorg Med Chem Lett 19: 3941-4 (2009)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50297520
PNG
((S)-1,2-dihydroxyhexane-3,4-dione | CHEMBL560745)
Show SMILES CCC(O)C(=O)C(=O)CO
Show InChI InChI=1S/C6H10O4/c1-2-4(8)6(10)5(9)3-7/h4,7-8H,2-3H2,1H3
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n/an/an/an/a 580n/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assay


Bioorg Med Chem Lett 19: 3941-4 (2009)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50362021
PNG
(CHEMBL1939887 | CHEMBL1939889)
Show SMILES CC(O)C(=O)C(=O)[C@H](C)O
Show InChI InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h3-4,7-8H,1-2H3/t3-,4?/m0/s1
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n/an/an/an/a 650n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of bioluminescence after 5 hrs 30 mins


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50297521
PNG
((S)-1,2-dihydroxyheptane-3,4-dione | CHEMBL539221)
Show SMILES CCCC(O)C(=O)C(=O)CO
Show InChI InChI=1S/C7H12O4/c1-2-3-5(9)7(11)6(10)4-8/h5,8-9H,2-4H2,1H3
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n/an/an/an/a 750n/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assay


Bioorg Med Chem Lett 19: 3941-4 (2009)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50297522
PNG
((S)-1,2-dihydroxyoctane-3,4-dione | CHEMBL539143)
Show SMILES CCCCC(O)C(=O)C(=O)CO
Show InChI InChI=1S/C8H14O4/c1-2-3-4-6(10)8(12)7(11)5-9/h6,9-10H,2-5H2,1H3
PDB
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n/an/an/an/a 1.01E+3n/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assay


Bioorg Med Chem Lett 19: 3941-4 (2009)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50297523
PNG
((S)-1,2-dihydroxynonane-3,4-dione | CHEMBL562281)
Show SMILES CCCCCC(O)C(=O)C(=O)CO
Show InChI InChI=1S/C9H16O4/c1-2-3-4-5-7(11)9(13)8(12)6-10/h7,10-11H,2-6H2,1H3
PDB
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n/an/an/an/a 1.35E+3n/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assay


Bioorg Med Chem Lett 19: 3941-4 (2009)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50297524
PNG
((S)-1,2-dihydroxydecane-3,4-dione | CHEMBL550518)
Show SMILES CCCCCCC(O)C(=O)C(=O)CO
Show InChI InChI=1S/C10H18O4/c1-2-3-4-5-6-8(12)10(14)9(13)7-11/h8,11-12H,2-7H2,1H3
PDB
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n/an/an/an/a 1.52E+3n/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assay


Bioorg Med Chem Lett 19: 3941-4 (2009)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50297525
PNG
((S)-1,2-dihydroxyundecane-3,4-dione | CHEMBL540164)
Show SMILES CCCCCCCC(O)C(=O)C(=O)CO
Show InChI InChI=1S/C11H20O4/c1-2-3-4-5-6-7-9(13)11(15)10(14)8-12/h9,12-13H,2-8H2,1H3
PDB
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n/an/an/an/a 1.81E+3n/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assay


Bioorg Med Chem Lett 19: 3941-4 (2009)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50362021
PNG
(CHEMBL1939887 | CHEMBL1939889)
Show SMILES CC(O)C(=O)C(=O)[C@H](C)O
Show InChI InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h3-4,7-8H,1-2H3/t3-,4?/m0/s1
PDB
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n/an/an/an/a 1.87E+3n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decrease in FRET ratio


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50362021
PNG
(CHEMBL1939887 | CHEMBL1939889)
Show SMILES CC(O)C(=O)C(=O)[C@H](C)O
Show InChI InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h3-4,7-8H,1-2H3/t3-,4?/m0/s1
PDB
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n/an/an/an/a 6.21E+3n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of bioluminescence after 5 hrs 30 mins


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50362022
PNG
(CHEMBL1939888 | CHEMBL1939890)
Show SMILES CC(O)C(=O)C(=O)[C@@H](C)O
Show InChI InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h3-4,7-8H,1-2H3/t3-,4?/m1/s1
PDB
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n/an/an/an/a 1.00E+4n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decrease in FRET ratio


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50362022
PNG
(CHEMBL1939888 | CHEMBL1939890)
Show SMILES CC(O)C(=O)C(=O)[C@@H](C)O
Show InChI InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h3-4,7-8H,1-2H3/t3-,4?/m1/s1
PDB
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n/an/an/an/a 1.16E+4n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decrease in FRET ratio


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50362022
PNG
(CHEMBL1939888 | CHEMBL1939890)
Show SMILES CC(O)C(=O)C(=O)[C@@H](C)O
Show InChI InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h3-4,7-8H,1-2H3/t3-,4?/m1/s1
PDB
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n/an/an/an/a 1.95E+4n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of bioluminescence after 5 hrs 30 mins


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50115385
PNG
(CHEMBL3609492)
Show SMILES OC[C@H](O)C(=O)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1/C15H14O4/c16-9-14(18)15(19)13(17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,14,16,18H,8-9H2/t14-/s2
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n/an/an/an/a 2.00E+4n/an/an/an/a



National Institute for Biotechnology in the Negev

Curated by ChEMBL


Assay Description
Binding affinity to LuxP in Vibrio harveyi MM32 assessed as activation of quorum sensing system after 5 hrs by bioluminescence assay in presence of e...


Bioorg Med Chem Lett 25: 3966-9 (2015)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50362022
PNG
(CHEMBL1939888 | CHEMBL1939890)
Show SMILES CC(O)C(=O)C(=O)[C@@H](C)O
Show InChI InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h3-4,7-8H,1-2H3/t3-,4?/m1/s1
PDB
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n/an/an/an/a 2.65E+4n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of bioluminescence after 5 hrs 30 mins


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50362025
PNG
(CHEMBL1939886)
Show SMILES OC[C@H](O)C(=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C5H5F3O4/c6-5(7,8)4(12)3(11)2(10)1-9/h2,9-10H,1H2/t2-/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi LuxP receptor


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50165862
PNG
((4S)-4,5-dihydroxypentane-2,3-dione | (S)-4,5-dihy...)
Show SMILES CC(O)C(=O)C(=O)CO
Show InChI InChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h3,6-7H,2H2,1H3
PDB
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n/an/an/an/a 3.00E+4n/an/an/an/a



Instituto de Tecnologia Qu£mica e Biol£gica

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio harveyi LuxP receptor


Bioorg Med Chem 20: 249-56 (2011)

More data for this
Ligand-Target Pair