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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 200.3
BDBM50358395
Wt: 213.3
BDBM50358396
Wt: 198.3
BDBM50358400
Purchase
Wt: 200.3
BDBM50358401
Purchase
Wt: 198.3
BDBM50358402
Purchase
Wt: 200.3
BDBM50358403
Wt: 212.3
BDBM50358406
Wt: 214.3
BDBM50358409
Wt: 214.3
BDBM50358410
Purchase
Wt: 200.3
BDBM50358411
Wt: 200.3
BDBM50358412
Wt: 186.2
BDBM50358413
Wt: 186.2
BDBM50358414
Wt: 172.2
BDBM50358415
Wt: 158.2
BDBM50358416
Displayed 1 to 15 (of 51 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
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...)
BDBM50358395
PNG
(CHEMBL1922867)
Show SMILES CCCCCCCCCC(=O)[C@H](C)O |r|
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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 |r|
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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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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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
KEGG

UniProtKB/SwissProt

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CHEMBL
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Article
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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
KEGG

UniProtKB/SwissProt

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Purchase

CHEMBL
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Article
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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
KEGG

UniProtKB/SwissProt

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PC cid
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Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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 |r|
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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Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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 |r|
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
KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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 |r|
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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Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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 |r|
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
KEGG

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Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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 |r|
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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PubMed
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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 |r|
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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PubMed
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
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 |r|
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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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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
More data for this
Ligand-Target Pair
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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Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2011.09.021
BindingDB Entry DOI: 10.7270/Q27H1K1T
More data for this
Ligand-Target Pair