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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with Target = 'S-ribosylhomocysteine lyase' AND taxid = 224308   
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
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
PDB
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KEGG

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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


Citation and Details
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
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
PDB
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KEGG

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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


Citation and Details
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
PDB
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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


Citation and Details
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
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


Citation and Details
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
PDB
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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


Citation and Details
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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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PubMed
4.20E+3n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Citation and Details
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
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
PDB
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PubMed
7.70E+3n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Citation and Details
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
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
PDB
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PubMed
7.90E+3n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
PDB
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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


Citation and Details
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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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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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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PubMed
6.60E+4n/an/an/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis LuxS


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)