Compile Data Set for Download or QSAR
Found 35
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50031472(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
Affinity DataIC50: 2.00E+3nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM4341(2-[(3,4,5-trihydroxyphenyl)methylidene]propanedini...)
Show SMILES Oc1cc(C=C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H
Affinity DataIC50: 3.00E+3nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50234651(4,6-dinitrobenzene-1,2,3-triol | CHEMBL400737)
Show SMILES Oc1c(O)c(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C6H4N2O7/c9-4-2(7(12)13)1-3(8(14)15)5(10)6(4)11/h1,9-11H
Affinity DataIC50: 3.00E+3nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50234648(2,3,4-trihydroxybenzaldehyde | CHEMBL254077)
Show SMILES Oc1ccc(C=O)c(O)c1O
Show InChI InChI=1S/C7H6O4/c8-3-4-1-2-5(9)7(11)6(4)10/h1-3,9-11H
Affinity DataIC50: 4.00E+3nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50234650(2,3,4-trihydroxybenzophenone | CHEMBL1527 | Polyhy...)
Show SMILES Oc1ccc(C(=O)c2ccccc2)c(O)c1O
Show InChI InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H
Affinity DataIC50: 4.00E+3nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50234647(3,4,5-trihydroxybenzaldehyde | CHEMBL254710)
Show SMILES Oc1cc(C=O)cc(O)c1O
Show InChI InChI=1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H
Affinity DataIC50: 1.20E+4nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50206006(7,8-Dihydroxy-2H-1-benzopyran-2-one | 7,8-dihydrox...)
Show SMILES Oc1ccc2ccc(=O)oc2c1O
Show InChI InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
Affinity DataIC50: 1.20E+4nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50234652(1-(2,3,4-trihydroxyphenyl)ethanone | CHEMBL242540 ...)
Show SMILES CC(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H3
Affinity DataIC50: 2.10E+4nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50234649(5-(2-aminoethyl)benzene-1,2,3-triol hydrochloride ...)
Show SMILES NCCc1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,1-2,9H2
Affinity DataIC50: 2.20E+4nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Show SMILES OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
Affinity DataIC50: 5.00E+4nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362021(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
Affinity DataIC50: 5.75E+4nMAssay Description:Antagonist activity at Vibrio harveyi MM32 LuxP receptor assessed as decrease in receptor agonist DPD-induced bioluminescence after 5 hrs 30 minsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataIC50: 5.90E+4nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50205386(2,3,4-trihydroxybenzoic acid | CHEMBL220779)
Show SMILES OC(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
Affinity DataIC50: 6.10E+4nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362022(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
Affinity DataIC50: 1.60E+5nMAssay Description:Antagonist activity at Vibrio harveyi MM32 LuxP receptor assessed as decrease in receptor agonist DPD-induced bioluminescence after 5 hrs 30 minsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362021(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
Affinity DataIC50: 1.69E+5nMAssay Description:Antagonist activity at Vibrio harveyi MM32 LuxP receptor assessed as decrease in receptor agonist DPD-induced bioluminescence after 5 hrs 30 minsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362022(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
Affinity DataEC50:  2.65E+4nMAssay Description:Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of bioluminescence after 5 hrs 30 minsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362021(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
Affinity DataEC50:  650nMAssay Description:Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of bioluminescence after 5 hrs 30 minsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362022(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
Affinity DataEC50:  1.95E+4nMAssay Description:Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of bioluminescence after 5 hrs 30 minsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362025(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
Affinity DataEC50:  3.00E+4nMAssay Description:Agonist activity at Vibrio harveyi LuxP receptorMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362021(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
Affinity DataEC50:  6.21E+3nMAssay Description:Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of bioluminescence after 5 hrs 30 minsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50165862((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
Affinity DataEC50:  76nMAssay Description:Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of bioluminescence after 5 hrs 30 minsMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362022(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
Affinity DataEC50:  1.16E+4nMAssay Description:Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decrease in FRET ratioMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362021(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
Affinity DataEC50:  140nMAssay Description:Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decrease in FRET ratioMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362022(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
Affinity DataEC50:  1.00E+4nMAssay Description:Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decrease in FRET ratioMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50362021(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
Affinity DataEC50:  1.87E+3nMAssay Description:Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decrease in FRET ratioMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50165862((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
Affinity DataEC50:  32nMAssay Description:Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decrease in FRET ratioMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50297525((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
Affinity DataEC50:  1.81E+3nMAssay Description:Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assayMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50297524((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
Affinity DataEC50:  1.52E+3nMAssay Description:Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assayMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50165862((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
Affinity DataEC50:  3.00E+4nMAssay Description:Agonist activity at Vibrio harveyi LuxP receptorMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50297522((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
Affinity DataEC50:  1.01E+3nMAssay Description:Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assayMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50297521((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
Affinity DataEC50:  750nMAssay Description:Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assayMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50297520((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
Affinity DataEC50:  580nMAssay Description:Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assayMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50165862((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
Affinity DataEC50:  150nMAssay Description:Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assayMore data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50115385(CHEMBL3609492)
Show SMILES OC[C@H](O)C(=O)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/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-/m0/s1
Affinity DataEC50:  2.00E+4nMAssay 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...More data for this Ligand-Target Pair
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50297523((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
Affinity DataEC50:  1.35E+3nMAssay Description:Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assayMore data for this Ligand-Target Pair