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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with Target = 'S-ribosylhomocysteine lyase'   
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
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186746
PNG
((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1
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370n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304165
PNG
(CHEMBL593446 | S-(5-Deoxy-D-xylofuranos-5-yl)-L-ho...)
Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1
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430n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186746
PNG
((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1
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430n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of ferrous substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304168
PNG
((2S)-2-amino-4-(((2S,3S,4S)-3-fluoro-4,5-dihydroxy...)
Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1F)C(O)=O |r|
Show InChI InChI=1S/C9H16FNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1
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700n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
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720n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of ferrous substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
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720n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304169
PNG
((2S)-2-amino-4-(((2R,3S,4S)-3-bromo-4,5-dihydroxyt...)
Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1Br)C(O)=O |r|
Show InChI InChI=1S/C9H16BrNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304166
PNG
(CHEMBL593447 | S-(3,5-Dideoxy-3-fluoro-D-xylofuran...)
Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@H]1F)C(O)=O |r|
Show InChI InChI=1S/C9H16FNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6-,7+,9?/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Escherichia coli (strain K12))
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Escherichia coli LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304165
PNG
(CHEMBL593446 | S-(5-Deoxy-D-xylofuranos-5-yl)-L-ho...)
Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304166
PNG
(CHEMBL593447 | S-(3,5-Dideoxy-3-fluoro-D-xylofuran...)
Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@H]1F)C(O)=O |r|
Show InChI InChI=1S/C9H16FNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6-,7+,9?/m0/s1
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7.70E+3n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304169
PNG
((2S)-2-amino-4-(((2R,3S,4S)-3-bromo-4,5-dihydroxyt...)
Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1Br)C(O)=O |r|
Show InChI InChI=1S/C9H16BrNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1
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7.90E+3n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304167
PNG
(CHEMBL610483 | S-(3,5-Dideoxy-3-fluoro-1-O-methyl-...)
Show SMILES COC1O[C@H](CSCC[C@H](N)C(O)=O)[C@H](F)[C@H]1O |r|
Show InChI InChI=1S/C10H18FNO5S/c1-16-10-8(13)7(11)6(17-10)4-18-3-2-5(12)9(14)15/h5-8,10,13H,2-4,12H2,1H3,(H,14,15)/t5-,6+,7-,8+,10?/m0/s1
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8.80E+3n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi (strain ATCC BAA-1116 / BB120))
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
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9.70E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Vibrio harveyi LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304168
PNG
((2S)-2-amino-4-(((2S,3S,4S)-3-fluoro-4,5-dihydroxy...)
Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1F)C(O)=O |r|
Show InChI InChI=1S/C9H16FNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1
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1.06E+4n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186746
PNG
((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1
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1.06E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of zinc substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Escherichia coli (strain K12))
BDBM50186746
PNG
((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1
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1.27E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Escherichia coli LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi (strain ATCC BAA-1116 / BB120))
BDBM50186746
PNG
((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1
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1.28E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Vibrio harveyi LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
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1.96E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of zinc substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304167
PNG
(CHEMBL610483 | S-(3,5-Dideoxy-3-fluoro-1-O-methyl-...)
Show SMILES COC1O[C@H](CSCC[C@H](N)C(O)=O)[C@H](F)[C@H]1O |r|
Show InChI InChI=1S/C10H18FNO5S/c1-16-10-8(13)7(11)6(17-10)4-18-3-2-5(12)9(14)15/h5-8,10,13H,2-4,12H2,1H3,(H,14,15)/t5-,6+,7-,8+,10?/m0/s1
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4.20E+4n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304164
PNG
(CHEMBL611818 | S-(5-Deoxy-3-O-methyl-D-ribofuranos...)
Show SMILES CO[C@@H]1[C@@H](CSCCC(N)C(O)=O)OC(O)[C@@H]1O |r|
Show InChI InChI=1S/C10H19NO6S/c1-16-8-6(17-10(15)7(8)12)4-18-3-2-5(11)9(13)14/h5-8,10,12,15H,2-4,11H2,1H3,(H,13,14)/t5?,6-,7-,8-,10?/m1/s1
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4.20E+4n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304162
PNG
(CHEMBL593408 | S-(3,5-Dideoxy-D-erythro-pentofuran...)
Show SMILES NC(CCSC[C@@H]1C[C@@H](O)C(O)O1)C(O)=O |r|
Show InChI InChI=1S/C9H17NO5S/c10-6(8(12)13)1-2-16-4-5-3-7(11)9(14)15-5/h5-7,9,11,14H,1-4,10H2,(H,12,13)/t5-,6?,7+,9?/m0/s1
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5.50E+4n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50142500
PNG
((2S)-2-amino-4-(methylsulfanyl)butanoic acid | (S)...)
Show SMILES CSCC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
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6.10E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50304163
PNG
(CHEMBL609855 | S-(5-Deoxy-3-O-methyl-D-xylofuranos...)
Show SMILES CO[C@H]1[C@@H](CSCCC(N)C(O)=O)OC(O)[C@@H]1O |r|
Show InChI InChI=1S/C10H19NO6S/c1-16-8-6(17-10(15)7(8)12)4-18-3-2-5(11)9(13)14/h5-8,10,12,15H,2-4,11H2,1H3,(H,13,14)/t5?,6-,7-,8+,10?/m1/s1
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6.60E+4n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Bioorg Med Chem 17: 6699-706 (2009)


Article DOI: 10.1016/j.bmc.2009.07.057
BindingDB Entry DOI: 10.7270/Q2PZ58XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186742
PNG
((2S)-2-amino-6-(N-formyl-N-hydroxylamino)hexanoic ...)
Show SMILES N[C@@H](CCCCN(O)C=O)C(O)=O
Show InChI InChI=1S/C7H14N2O4/c8-6(7(11)12)3-1-2-4-9(13)5-10/h5-6,13H,1-4,8H2,(H,11,12)/t6-/m0/s1
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6.80E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186743
PNG
(CHEMBL383729 | S-ribosylcysteine)
Show SMILES N[C@H](CSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C8H15NO6S/c9-3(7(12)13)1-16-2-4-5(10)6(11)8(14)15-4/h3-6,8,10-11,14H,1-2,9H2,(H,12,13)/t3-,4-,5-,6-,8-/m1/s1
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7.00E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186748
PNG
((S)-2-amino-6-(2-mercaptoacetamido)hexanoic acid |...)
Show SMILES N[C@@H](CCCCNC(=O)CS)C(O)=O
Show InChI InChI=1S/C8H16N2O3S/c9-6(8(12)13)3-1-2-4-10-7(11)5-14/h6,14H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
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1.32E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50148771
PNG
((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...)
Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO
Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
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1.47E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of ferrous substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186744
PNG
((S)-2-amino-6-(3-mercaptopropanamido)hexanoic acid...)
Show SMILES N[C@@H](CCCCNC(=O)CCS)C(O)=O
Show InChI InChI=1S/C9H18N2O3S/c10-7(9(13)14)3-1-2-5-11-8(12)4-6-15/h7,15H,1-6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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1.55E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50148771
PNG
((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...)
Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO
Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
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1.56E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186745
PNG
((S)-2-amino-6-(4-mercaptobutanamido)hexanoic acid ...)
Show SMILES N[C@@H](CCCCNC(=O)CCCS)C(O)=O
Show InChI InChI=1S/C10H20N2O3S/c11-8(10(14)15)4-1-2-6-12-9(13)5-3-7-16/h8,16H,1-7,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
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4.73E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi (strain ATCC BAA-1116 / BB120))
BDBM50148771
PNG
((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...)
Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO
Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
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5.50E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Vibrio harveyi LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Escherichia coli (strain K12))
BDBM50148771
PNG
((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...)
Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO
Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
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7.20E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Escherichia coli LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50148771
PNG
((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...)
Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO
Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
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2.40E+6n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of zinc substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50351258
PNG
(CHEMBL1818669)
Show SMILES N[C@@H](CCSC[C@H]1NC(O)[C@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C9H18N2O5S/c10-4(9(15)16)1-2-17-3-5-6(12)7(13)8(14)11-5/h4-8,11-14H,1-3,10H2,(H,15,16)/t4-,5+,6+,7+,8?/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis LuxS preincubated for 15 mins by UV-vis spectrophotometeric analysis


Bioorg Med Chem 19: 5507-19 (2011)


Article DOI: 10.1016/j.bmc.2011.07.043
BindingDB Entry DOI: 10.7270/Q2FX79T3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65976
PNG
(MLS000099320 | N-(6-methyl-2-pyridinyl)-4-phenoxyb...)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C18H16N2O3S/c1-14-6-5-9-18(19-14)20-24(21,22)17-12-10-16(11-13-17)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: LuxS enzyme, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23F4N29
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65981
PNG
(MLS001176288 | N-(4-fluorophenyl)sulfonyl-N-methyl...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)N(C)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H18FNO4S2/c1-3-4-13-5-9-15(10-6-13)23(19,20)18(2)24(21,22)16-11-7-14(17)8-12-16/h5-12H,3-4H2,1-2H3
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n/an/an/an/a 1.62E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z036M0
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65977
PNG
(1-ethenyl-5-(4-ethylphenyl)-2-pyrrolecarboxylic ac...)
Show SMILES CCc1ccc(cc1)-c1ccc(C(O)=O)n1C=C
Show InChI InChI=1S/C15H15NO2/c1-3-11-5-7-12(8-6-11)13-9-10-14(15(17)18)16(13)4-2/h4-10H,2-3H2,1H3,(H,17,18)
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n/an/an/an/a 2.07E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z036M0
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65981
PNG
(MLS001176288 | N-(4-fluorophenyl)sulfonyl-N-methyl...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)N(C)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H18FNO4S2/c1-3-4-13-5-9-15(10-6-13)23(19,20)18(2)24(21,22)16-11-7-14(17)8-12-16/h5-12H,3-4H2,1-2H3
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: LuxS enzyme, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23F4N29
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65979
PNG
(1-methyl-N-[4-(trifluoromethoxy)phenyl]-1H-imidazo...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C11H10F3N3O3S/c1-17-6-10(15-7-17)21(18,19)16-8-2-4-9(5-3-8)20-11(12,13)14/h2-7,16H,1H3
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: LuxS enzyme, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23F4N29
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65981
PNG
(MLS001176288 | N-(4-fluorophenyl)sulfonyl-N-methyl...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)N(C)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H18FNO4S2/c1-3-4-13-5-9-15(10-6-13)23(19,20)18(2)24(21,22)16-11-7-14(17)8-12-16/h5-12H,3-4H2,1-2H3
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n/an/an/an/a 4.55E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2T72FW8
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65976
PNG
(MLS000099320 | N-(6-methyl-2-pyridinyl)-4-phenoxyb...)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C18H16N2O3S/c1-14-6-5-9-18(19-14)20-24(21,22)17-12-10-16(11-13-17)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)
UniProtKB/TrEMBL

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n/an/an/an/a>1.60E+5n/an/an/an/a



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Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2T72FW8
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65980
PNG
(MLS001211346 | N-(5-Bromo-pyridin-2-yl)-4-ethyl-be...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C13H13BrN2O2S/c1-2-10-3-6-12(7-4-10)19(17,18)16-13-8-5-11(14)9-15-13/h3-9H,2H2,1H3,(H,15,16)
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n/an/an/an/a 3.64E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z036M0
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: LuxS enzyme, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23F4N29
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65980
PNG
(MLS001211346 | N-(5-Bromo-pyridin-2-yl)-4-ethyl-be...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C13H13BrN2O2S/c1-2-10-3-6-12(7-4-10)19(17,18)16-13-8-5-11(14)9-15-13/h3-9H,2H2,1H3,(H,15,16)
UniProtKB/TrEMBL

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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: LuxS enzyme, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23F4N29
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65978
PNG
(MLS000690454 | N-[({4-[(dimethylamino)sulfonyl]phe...)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O3S2/c1-20(2)25(22,23)15-10-8-14(9-11-15)18-17(24)19-16(21)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,18,19,21,24)
UniProtKB/TrEMBL

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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: LuxS enzyme, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23F4N29
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65977
PNG
(1-ethenyl-5-(4-ethylphenyl)-2-pyrrolecarboxylic ac...)
Show SMILES CCc1ccc(cc1)-c1ccc(C(O)=O)n1C=C
Show InChI InChI=1S/C15H15NO2/c1-3-11-5-7-12(8-6-11)13-9-10-14(15(17)18)16(13)4-2/h4-10H,2-3H2,1H3,(H,17,18)
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n/an/an/an/a 1.49E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: LuxS enzyme, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23F4N29
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
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n/an/an/an/a 1.37E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2T72FW8
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65980
PNG
(MLS001211346 | N-(5-Bromo-pyridin-2-yl)-4-ethyl-be...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C13H13BrN2O2S/c1-2-10-3-6-12(7-4-10)19(17,18)16-13-8-5-11(14)9-15-13/h3-9H,2H2,1H3,(H,15,16)
UniProtKB/TrEMBL

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n/an/an/an/a>1.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2T72FW8
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi)
BDBM65978
PNG
(MLS000690454 | N-[({4-[(dimethylamino)sulfonyl]phe...)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O3S2/c1-20(2)25(22,23)15-10-8-14(9-11-15)18-17(24)19-16(21)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,18,19,21,24)
UniProtKB/TrEMBL

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n/an/an/an/a>1.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2T72FW8
More data for this
Ligand-Target Pair
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