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Compile Data Set for Download or QSAR

Found 25 hits of ec50 data for polymerid = 50004879   
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
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358396
PNG
(CHEMBL1922866)
Show SMILES CCCCCCCCCC(=O)C(N)CC
Show InChI InChI=1S/C13H27NO/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h12H,3-11,14H2,1-2H3
KEGG

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n/an/an/an/a 210n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358410
PNG
(CHEMBL1922852)
Show SMILES CCCCCCCCCC(=O)[C@@H](O)CC
Show InChI InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h12,14H,3-11H2,1-2H3/t12-/m0/s1
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n/an/an/an/a 250n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358395
PNG
(CHEMBL1922867)
Show SMILES CCCCCCCCCC(=O)[C@H](C)O
Show InChI InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h11,13H,3-10H2,1-2H3/t11-/m0/s1
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n/an/an/an/a 340n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358409
PNG
(CHEMBL1922853)
Show SMILES CCCCCCCCCC(=O)[C@H](O)CC
Show InChI InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h12,14H,3-11H2,1-2H3/t12-/m1/s1
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n/an/an/an/a 640n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358394
PNG
(CHEMBL1922868)
Show SMILES CCCCCCCCCC(=O)C(O)CCC
Show InChI InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-12-14(16)13(15)11-4-2/h13,15H,3-12H2,1-2H3
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n/an/an/an/a 780n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358412
PNG
(CHEMBL1922850)
Show SMILES CCCCCCCCC(=O)[C@@H](O)CC
Show InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-12(14)11(13)4-2/h11,13H,3-10H2,1-2H3/t11-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358397
PNG
(CHEMBL1922865)
Show SMILES CCCCCCCCCC(=O)C(S)CC
Show InChI InChI=1S/C13H26OS/c1-3-5-6-7-8-9-10-11-12(14)13(15)4-2/h13,15H,3-11H2,1-2H3
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n/an/an/an/a 1.60E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358411
PNG
(CHEMBL1922851)
Show SMILES CCCCCCCCC(=O)[C@H](O)CC
Show InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-12(14)11(13)4-2/h11,13H,3-10H2,1-2H3/t11-/m1/s1
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n/an/an/an/a 1.61E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358408
PNG
(CHEMBL1922854)
Show SMILES CCCCCCCCCCC(=O)[C@@H](O)CC
Show InChI InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-14(16)13(15)4-2/h13,15H,3-12H2,1-2H3/t13-/m0/s1
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n/an/an/an/a 2.09E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358398
PNG
(CHEMBL1922864)
Show SMILES CCCCCCCCCC(=O)C(Br)CC
Show InChI InChI=1S/C13H25BrO/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h12H,3-11H2,1-2H3
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n/an/an/an/a 2.40E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358406
PNG
(CHEMBL1922856)
Show SMILES CCCCCCCCCC(=O)C(=O)CC
Show InChI InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h3-11H2,1-2H3
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n/an/an/an/a 3.20E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358405
PNG
(CHEMBL1922857)
Show SMILES CCCCCCCCCC(O)C(O)CC
Show InChI InChI=1S/C13H28O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h12-15H,3-11H2,1-2H3
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n/an/an/an/a 4.30E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358413
PNG
(CHEMBL1922849)
Show SMILES CCCCCCCC(=O)[C@H](O)CC
Show InChI InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(13)10(12)4-2/h10,12H,3-9H2,1-2H3/t10-/m1/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358393
PNG
(CHEMBL1922869)
Show SMILES CCCCCCCCCC(=O)C(O)C(C)C
Show InChI InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-13(15)14(16)12(2)3/h12,14,16H,4-11H2,1-3H3
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n/an/an/an/a 7.16E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358414
PNG
(CHEMBL1922848)
Show SMILES CCCCCCCC(=O)[C@@H](O)CC
Show InChI InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(13)10(12)4-2/h10,12H,3-9H2,1-2H3/t10-/m0/s1
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n/an/an/an/a 9.45E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358404
PNG
(CHEMBL1922858)
Show SMILES CCCCCCCCCC(O)C(=O)CC
Show InChI InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h13,15H,3-11H2,1-2H3
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n/an/an/an/a 2.10E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358416
PNG
(CHEMBL1922846)
Show SMILES CCCCCC(=O)[C@@H](O)CC
Show InChI InChI=1S/C9H18O2/c1-3-5-6-7-9(11)8(10)4-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358403
PNG
(CHEMBL1922859)
Show SMILES CCCCCCCCCC(O)CCC
Show InChI InChI=1S/C13H28O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13-14H,3-12H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358402
PNG
(CHEMBL1922860)
Show SMILES CCCCCCCCCC(=O)CCC
Show InChI InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358401
PNG
(CHEMBL1922861)
Show SMILES CCCCCCCCCCC(O)CC
Show InChI InChI=1S/C13H28O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h13-14H,3-12H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358407
PNG
(CHEMBL1922855)
Show SMILES CCCCCCCCCCCCC(=O)[C@@H](O)CC
Show InChI InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-16(18)15(17)4-2/h15,17H,3-14H2,1-2H3/t15-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358399
PNG
(CHEMBL1922863)
Show SMILES CCCCCCCCCC(=O)C(Cl)CC
Show InChI InChI=1S/C13H25ClO/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h12H,3-11H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358392
PNG
(CHEMBL1922870)
Show SMILES CCCCCCCCCC(=O)C(O)C(C)(C)C
Show InChI InChI=1S/C15H30O2/c1-5-6-7-8-9-10-11-12-13(16)14(17)15(2,3)4/h14,17H,5-12H2,1-4H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358415
PNG
(CHEMBL1922847)
Show SMILES CCCCCCC(=O)[C@@H](O)CC
Show InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-10(12)9(11)4-2/h9,11H,3-8H2,1-2H3/t9-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358400
PNG
(CHEMBL1922862)
Show SMILES CCCCCCCCCCC(=O)CC
Show InChI InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h3-12H2,1-2H3
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PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

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Ligand-Target Pair