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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with Target = 'Chorismate synthase'   
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
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123120
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-4-pentyloxy-phenyl)-...)
Show SMILES CCCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C20H20O6/c1-2-3-4-9-25-13-6-5-12(16(22)11-13)10-17-18(23)14-7-8-15(21)19(24)20(14)26-17/h5-8,10-11,21-22,24H,2-4,9H2,1H3/b17-10+
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n/an/a 220n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123099
PNG
(2-[1-(4-Hexyloxy-2-hydroxy-phenyl)-meth-(E)-yliden...)
Show SMILES CCCCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C21H22O6/c1-2-3-4-5-10-26-14-7-6-13(17(23)12-14)11-18-19(24)15-8-9-16(22)20(25)21(15)27-18/h6-9,11-12,22-23,25H,2-5,10H2,1H3/b18-11+
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n/an/a 320n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123103
PNG
(2-[1-(4-Butoxy-2-hydroxy-phenyl)-meth-(E)-ylidene]...)
Show SMILES CCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C19H18O6/c1-2-3-8-24-12-5-4-11(15(21)10-12)9-16-17(22)13-6-7-14(20)18(23)19(13)25-16/h4-7,9-10,20-21,23H,2-3,8H2,1H3/b16-9+
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n/an/a 450n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123101
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-4-propoxy-phenyl)-me...)
Show SMILES CCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C18H16O6/c1-2-7-23-11-4-3-10(14(20)9-11)8-15-16(21)12-5-6-13(19)17(22)18(12)24-15/h3-6,8-9,19-20,22H,2,7H2,1H3/b15-8+
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n/an/a 510n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123096
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-4-isobutoxy-phenyl)-...)
Show SMILES CC(C)COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C19H18O6/c1-10(2)9-24-12-4-3-11(15(21)8-12)7-16-17(22)13-5-6-14(20)18(23)19(13)25-16/h3-8,10,20-21,23H,9H2,1-2H3/b16-7+
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n/an/a 580n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123093
PNG
(4-{4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylide...)
Show SMILES CCOC(=O)CCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C21H20O8/c1-2-27-18(24)4-3-9-28-13-6-5-12(16(23)11-13)10-17-19(25)14-7-8-15(22)20(26)21(14)29-17/h5-8,10-11,22-23,26H,2-4,9H2,1H3/b17-10+
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n/an/a 650n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123118
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-phenyl)-meth-(E)-yli...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccccc1O
Show InChI InChI=1S/C15H10O5/c16-10-4-2-1-3-8(10)7-12-13(18)9-5-6-11(17)14(19)15(9)20-12/h1-7,16-17,19H/b12-7+
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n/an/a 800n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123087
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-3-methoxy-phenyl)-me...)
Show SMILES COc1cccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c1O
Show InChI InChI=1S/C16H12O6/c1-21-11-4-2-3-8(13(11)18)7-12-14(19)9-5-6-10(17)15(20)16(9)22-12/h2-7,17-18,20H,1H3/b12-7+
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n/an/a 800n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123090
PNG
(6,7-Dihydroxy-2-[1-[2-hydroxy-4-(4-hydroxy-butoxy)...)
Show SMILES OCCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C19H18O7/c20-7-1-2-8-25-12-4-3-11(15(22)10-12)9-16-17(23)13-5-6-14(21)18(24)19(13)26-16/h3-6,9-10,20-22,24H,1-2,7-8H2/b16-9+
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n/an/a 860n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123104
PNG
(2-[1-(4-Benzyloxy-2-hydroxy-phenyl)-meth-(E)-ylide...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccc(OCc2ccccc2)cc1O
Show InChI InChI=1S/C22H16O6/c23-17-9-8-16-20(25)19(28-22(16)21(17)26)10-14-6-7-15(11-18(14)24)27-12-13-4-2-1-3-5-13/h1-11,23-24,26H,12H2/b19-10+
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n/an/a 1.00E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123108
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-4-isopropoxy-phenyl)...)
Show SMILES CC(C)Oc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C18H16O6/c1-9(2)23-11-4-3-10(14(20)8-11)7-15-16(21)12-5-6-13(19)17(22)18(12)24-15/h3-9,19-20,22H,1-2H3/b15-7+
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n/an/a 1.00E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123085
PNG
(4-{4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylide...)
Show SMILES OC(=O)CCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C19H16O8/c20-13-6-5-12-17(24)15(27-19(12)18(13)25)8-10-3-4-11(9-14(10)21)26-7-1-2-16(22)23/h3-6,8-9,20-21,25H,1-2,7H2,(H,22,23)/b15-8+
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n/an/a 1.10E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123111
PNG
(4-{4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylide...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccc(OCCCC#N)cc1O
Show InChI InChI=1S/C19H15NO6/c20-7-1-2-8-25-12-4-3-11(15(22)10-12)9-16-17(23)13-5-6-14(21)18(24)19(13)26-16/h3-6,9-10,21-22,24H,1-2,8H2/b16-9+
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n/an/a 1.10E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123124
PNG
(2-[1-(4-Butoxy-phenyl)-meth-(E)-ylidene]-6,7-dihyd...)
Show SMILES CCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Show InChI InChI=1S/C19H18O5/c1-2-3-10-23-13-6-4-12(5-7-13)11-16-17(21)14-8-9-15(20)18(22)19(14)24-16/h4-9,11,20,22H,2-3,10H2,1H3/b16-11+
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n/an/a 1.50E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123121
PNG
(6,7-Dihydroxy-2-[1-[2-hydroxy-4-(6-hydroxy-hexylox...)
Show SMILES OCCCCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C21H22O7/c22-9-3-1-2-4-10-27-14-6-5-13(17(24)12-14)11-18-19(25)15-7-8-16(23)20(26)21(15)28-18/h5-8,11-12,22-24,26H,1-4,9-10H2/b18-11+
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n/an/a 1.60E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123088
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-4-methoxy-phenyl)-me...)
Show SMILES COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C16H12O6/c1-21-9-3-2-8(12(18)7-9)6-13-14(19)10-4-5-11(17)15(20)16(10)22-13/h2-7,17-18,20H,1H3/b13-6+
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n/an/a 1.70E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123098
PNG
(CHEMBL134581 | {2-[6,7-Dihydroxy-3-oxo-3H-benzofur...)
Show SMILES OC(=O)COc1ccccc1\C=C1\Oc2c(ccc(O)c2O)C1=O
Show InChI InChI=1S/C17H12O7/c18-11-6-5-10-15(21)13(24-17(10)16(11)22)7-9-3-1-2-4-12(9)23-8-14(19)20/h1-7,18,22H,8H2,(H,19,20)/b13-7+
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n/an/a 1.80E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123089
PNG
(6,7-Dihydroxy-2-[1-(2-nitro-phenyl)-meth-(E)-ylide...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H9NO6/c17-11-6-5-9-13(18)12(22-15(9)14(11)19)7-8-3-1-2-4-10(8)16(20)21/h1-7,17,19H/b12-7+
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n/an/a 2.00E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123109
PNG
(6,7-Dihydroxy-2-[1-[2-hydroxy-4-(3-hydroxy-propoxy...)
Show SMILES OCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C18H16O7/c19-6-1-7-24-11-3-2-10(14(21)9-11)8-15-16(22)12-4-5-13(20)17(23)18(12)25-15/h2-5,8-9,19-21,23H,1,6-7H2/b15-8+
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n/an/a 2.50E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123116
PNG
(CHEMBL135330 | {4-[6,7-Dihydroxy-3-oxo-3H-benzofur...)
Show SMILES OC(=O)COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C17H12O8/c18-11-4-3-10-15(22)13(25-17(10)16(11)23)5-8-1-2-9(6-12(8)19)24-7-14(20)21/h1-6,18-19,23H,7H2,(H,20,21)/b13-5+
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n/an/a 2.60E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123113
PNG
(2-[1-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-2-methyl-p...)
Show SMILES CCN(CCO)c1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(C)c1
Show InChI InChI=1S/C20H21NO5/c1-3-21(8-9-22)14-5-4-13(12(2)10-14)11-17-18(24)15-6-7-16(23)19(25)20(15)26-17/h4-7,10-11,22-23,25H,3,8-9H2,1-2H3/b17-11+
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n/an/a 3.40E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123106
PNG
(6,7-Dihydroxy-2-[1-phenyl-meth-(E)-ylidene]-benzof...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-11-7-6-10-13(17)12(19-15(10)14(11)18)8-9-4-2-1-3-5-9/h1-8,16,18H/b12-8+
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n/an/a 3.50E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123095
PNG
(6,7-Dihydroxy-2-[1-o-tolyl-meth-(E)-ylidene]-benzo...)
Show SMILES Cc1ccccc1\C=C1\Oc2c(ccc(O)c2O)C1=O
Show InChI InChI=1S/C16H12O4/c1-9-4-2-3-5-10(9)8-13-14(18)11-6-7-12(17)15(19)16(11)20-13/h2-8,17,19H,1H3/b13-8+
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n/an/a 4.00E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123100
PNG
(6,7-Dihydroxy-2-[1-(4-nitro-phenyl)-meth-(E)-ylide...)
Show SMILES Oc1ccc2c([O-])c([CH+]c3ccc(cc3)[N+]([O-])=O)oc2c1O
Show InChI InChI=1S/C15H9NO6/c17-11-6-5-10-13(18)12(22-15(10)14(11)19)7-8-1-3-9(4-2-8)16(20)21/h1-7H,(H2-,17,18,19)
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n/an/a 4.80E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123123
PNG
(2-[1-(4-Diethylamino-2-hydroxy-phenyl)-meth-(E)-yl...)
Show SMILES CCN(CC)c1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C19H19NO5/c1-3-20(4-2)12-6-5-11(15(22)10-12)9-16-17(23)13-7-8-14(21)18(24)19(13)25-16/h5-10,21-22,24H,3-4H2,1-2H3/b16-9+
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n/an/a 5.00E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123112
PNG
(6,7-Dihydroxy-2-[1-(4-imidazol-1-yl-phenyl)-meth-(...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C18H12N2O4/c21-14-6-5-13-16(22)15(24-18(13)17(14)23)9-11-1-3-12(4-2-11)20-8-7-19-10-20/h1-10,21,23H/b15-9+
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n/an/a 5.10E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123086
PNG
(2-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-6,7-dihyd...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccccc1Cl
Show InChI InChI=1S/C15H9ClO4/c16-10-4-2-1-3-8(10)7-12-13(18)9-5-6-11(17)14(19)15(9)20-12/h1-7,17,19H/b12-7+
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n/an/a 5.20E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123115
PNG
(6,7-Dihydroxy-2-[1-(4-pyrrolidin-1-yl-phenyl)-meth...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C19H17NO4/c21-15-8-7-14-17(22)16(24-19(14)18(15)23)11-12-3-5-13(6-4-12)20-9-1-2-10-20/h3-8,11,21,23H,1-2,9-10H2/b16-11+
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n/an/a 5.50E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123097
PNG
(2-[1-(4-Ethoxy-phenyl)-meth-(E)-ylidene]-6,7-dihyd...)
Show SMILES CCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Show InChI InChI=1S/C17H14O5/c1-2-21-11-5-3-10(4-6-11)9-14-15(19)12-7-8-13(18)16(20)17(12)22-14/h3-9,18,20H,2H2,1H3/b14-9+
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n/an/a 5.80E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123125
PNG
(6,7-Dihydroxy-2-[1-(4-trifluoromethyl-phenyl)-meth...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H9F3O4/c17-16(18,19)9-3-1-8(2-4-9)7-12-13(21)10-5-6-11(20)14(22)15(10)23-12/h1-7,20,22H/b12-7+
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n/an/a 7.00E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123114
PNG
(2-[1-(4-Diethylamino-phenyl)-meth-(E)-ylidene]-6,7...)
Show SMILES CCN(CC)c1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Show InChI InChI=1S/C19H19NO4/c1-3-20(4-2)13-7-5-12(6-8-13)11-16-17(22)14-9-10-15(21)18(23)19(14)24-16/h5-11,21,23H,3-4H2,1-2H3/b16-11+
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n/an/a 8.50E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123110
PNG
(CHEMBL434823 | {4-[6,7-Dihydroxy-3-oxo-3H-benzofur...)
Show SMILES CCOC(=O)COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C19H16O8/c1-2-25-16(22)9-26-11-4-3-10(14(21)8-11)7-15-17(23)12-5-6-13(20)18(24)19(12)27-15/h3-8,20-21,24H,2,9H2,1H3/b15-7+
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n/an/a 1.03E+4n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123102
PNG
(2-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylidenem...)
Show SMILES OC(=O)c1ccccc1\C=C1\Oc2c(ccc(O)c2O)C1=O
Show InChI InChI=1S/C16H10O6/c17-11-6-5-10-13(18)12(22-15(10)14(11)19)7-8-3-1-2-4-9(8)16(20)21/h1-7,17,19H,(H,20,21)/b12-7+
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n/an/a 1.07E+4n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123122
PNG
(6,7-Dihydroxy-2-[1-(4-methoxy-phenyl)-meth-(E)-yli...)
Show SMILES COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Show InChI InChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)8-13-14(18)11-6-7-12(17)15(19)16(11)21-13/h2-8,17,19H,1H3/b13-8+
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n/an/a 1.43E+4n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123119
PNG
(6,7-Dihydroxy-2-[1-(4-hydroxy-phenyl)-meth-(E)-yli...)
Show SMILES Oc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)7-12-13(18)10-5-6-11(17)14(19)15(10)20-12/h1-7,16-17,19H/b12-7+
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n/an/a 1.50E+4n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123117
PNG
(6,7-Dihydroxy-2-[1-(2-trifluoromethyl-phenyl)-meth...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H9F3O4/c17-16(18,19)10-4-2-1-3-8(10)7-12-13(21)9-5-6-11(20)14(22)15(9)23-12/h1-7,20,22H/b12-7+
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n/an/a 1.73E+4n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123105
PNG
(4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylidenem...)
Show SMILES OC(=O)c1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Show InChI InChI=1S/C16H10O6/c17-11-6-5-10-13(18)12(22-15(10)14(11)19)7-8-1-3-9(4-2-8)16(20)21/h1-7,17,19H,(H,20,21)/b12-7+
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n/an/a 2.40E+4n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123107
PNG
(2-[1-(4-Dimethylamino-phenyl)-meth-(E)-ylidene]-6,...)
Show SMILES CN(C)c1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Show InChI InChI=1S/C17H15NO4/c1-18(2)11-5-3-10(4-6-11)9-14-15(20)12-7-8-13(19)16(21)17(12)22-14/h3-9,19,21H,1-2H3/b14-9+
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n/an/a 2.59E+4n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123094
PNG
(6,7-Dihydroxy-2-[1-(4-morpholin-4-yl-phenyl)-meth-...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO5/c21-15-6-5-14-17(22)16(25-19(14)18(15)23)11-12-1-3-13(4-2-12)20-7-9-24-10-8-20/h1-6,11,21,23H,7-10H2/b16-11+
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n/an/a>5.00E+4n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123092
PNG
(6,7-Dihydroxy-2-[1-(2-methoxy-phenyl)-meth-(E)-yli...)
Show SMILES COc1ccccc1\C=C1\Oc2c(ccc(O)c2O)C1=O
Show InChI InChI=1S/C16H12O5/c1-20-12-5-3-2-4-9(12)8-13-14(18)10-6-7-11(17)15(19)16(10)21-13/h2-8,17,19H,1H3/b13-8+
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n/an/a>6.00E+4n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123091
PNG
(2-[1-(4-Fluoro-phenyl)-meth-(E)-ylidene]-6,7-dihyd...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccc(F)cc1
Show InChI InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)7-12-13(18)10-5-6-11(17)14(19)15(10)20-12/h1-7,17,19H/b12-7+
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n/an/a>6.00E+4n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)

More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50421345
PNG
(E101a | RIBOFLAVIN 5'-PHOSPHATE | Riboflavin 5''-P...)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C
Show InChI InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
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n/an/an/a>2.00E+4n/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for the binding affinity towards Escherichia coli chorismate synthase


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