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Compile Data Set for Download or QSAR

Found 171 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase (TS)' AND taxid = 83333   
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
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18771
PNG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1
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60n/an/an/an/an/an/an/an/a



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18771
PNG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1
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Article
PubMed
60 -40.5n/an/an/an/an/a7.020



Università di Modena e Reggio Emilia



Assay Description
The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...


Chem Biol 10: 1183-93 (2003)


Article DOI: 10.1016/j.chembiol.2003.11.012
BindingDB Entry DOI: 10.7270/Q2TT4PDH
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50008294
PNG
(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)
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95n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50077837
PNG
(3-(3-Chloro-4-hydroxy-phenyl)-3-hydroxy-6-nitro-3H...)
Show SMILES Oc1ccc(cc1Cl)C1(O)OC(=O)c2cccc3c(ccc1c23)[N+]([O-])=O
Show InChI InChI=1S/C18H10ClNO6/c19-13-8-9(4-7-15(13)21)18(23)12-5-6-14(20(24)25)10-2-1-3-11(16(10)12)17(22)26-18/h1-8,21,23H
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250n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426855
PNG
(CHEMBL2323403)
Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)\C=C\c3ccccc3)cc3cccc1c23
Show InChI InChI=1S/C20H13NO5S/c22-19-16-8-4-7-14-11-15(12-17(18(14)16)20(23)26-19)21-27(24,25)10-9-13-5-2-1-3-6-13/h1-12,21H/b10-9+
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300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18756
PNG
(1,2-naphthalein derivative, 2 | 5,5-bis(4-hydroxyp...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2c1ccc1ccccc21)c1ccc(O)cc1
Show InChI InChI=1S/C24H16O4/c25-18-10-6-16(7-11-18)24(17-8-12-19(26)13-9-17)21-14-5-15-3-1-2-4-20(15)22(21)23(27)28-24/h1-14,25-26H
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Article
PubMed
300 -36.6n/an/an/an/an/a7.420



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18766
PNG
(1,8-naphthalein derivative, 13 | 4-(3-bromo-4-hydr...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C24H15BrO4/c25-20-13-16(9-12-21(20)27)24(15-7-10-17(26)11-8-15)19-6-2-4-14-3-1-5-18(22(14)19)23(28)29-24/h1-13,26-27H
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400n/an/an/an/an/an/an/an/a



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18763
PNG
(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Show SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H
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PubMed
600 -34.9n/an/an/an/an/a7.420



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18763
PNG
(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Show SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H
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Article
PubMed
600 -34.9n/an/an/an/an/a7.020



Università di Modena e Reggio Emilia



Assay Description
The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...


Chem Biol 10: 1183-93 (2003)


Article DOI: 10.1016/j.chembiol.2003.11.012
BindingDB Entry DOI: 10.7270/Q2TT4PDH
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18763
PNG
(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Show SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H
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PubMed
700n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50077852
PNG
(6-Chloro-3,3-bis-(4-hydroxy-phenyl)-3H-benzo[de]is...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)cc1
Show InChI InChI=1S/C24H15ClO4/c25-21-13-12-20-22-18(21)2-1-3-19(22)23(28)29-24(20,14-4-8-16(26)9-5-14)15-6-10-17(27)11-7-15/h1-13,26-27H
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700n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18763
PNG
(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Show SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H
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PubMed
700 -34.5n/an/an/an/an/a7.020



Università di Modena e Reggio Emilia



Assay Description
The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...


Chem Biol 10: 1183-93 (2003)


Article DOI: 10.1016/j.chembiol.2003.11.012
BindingDB Entry DOI: 10.7270/Q2TT4PDH
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18764
PNG
(1,8-naphthalein derivative, 11 | 8-chloro-4,4-bis(...)
Show SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C24H13Cl3O4/c25-17-7-6-16-22-14(17)2-1-3-15(22)23(30)31-24(16,12-4-8-20(28)18(26)10-12)13-5-9-21(29)19(27)11-13/h1-11,28-29H
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PubMed
730n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426858
PNG
(CHEMBL2323397)
Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc4nsnc34)cc3cccc1c23
Show InChI InChI=1S/C18H9N3O5S2/c22-17-11-4-1-3-9-7-10(8-12(15(9)11)18(23)26-17)21-28(24,25)14-6-2-5-13-16(14)20-27-19-13/h1-8,21H
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900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18767
PNG
(1,8-naphthalein derivative, 14 | 4,4-bis(3-bromo-4...)
Show SMILES Oc1ccc(cc1Br)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C24H14Br2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H
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900n/an/an/an/an/an/an/an/a



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18758
PNG
(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
Show SMILES Oc1ccc(cc1Br)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C24H14Br2O4/c25-18-11-14(6-9-20(18)27)24(15-7-10-21(28)19(26)12-15)22-16-4-2-1-3-13(16)5-8-17(22)23(29)30-24/h1-12,27-28H
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900 -33.9n/an/an/an/an/a7.420



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18758
PNG
(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
Show SMILES Oc1ccc(cc1Br)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C24H14Br2O4/c25-18-11-14(6-9-20(18)27)24(15-7-10-21(28)19(26)12-15)22-16-4-2-1-3-13(16)5-8-17(22)23(29)30-24/h1-12,27-28H
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900 -33.9n/an/an/an/an/a7.020



Università di Modena e Reggio Emilia



Assay Description
The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...


Chem Biol 10: 1183-93 (2003)


Article DOI: 10.1016/j.chembiol.2003.11.012
BindingDB Entry DOI: 10.7270/Q2TT4PDH
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50077849
PNG
(3,3-Bis-(4-hydroxy-phenyl)-6-nitro-3H-benzo[de]iso...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2cccc3c(ccc1c23)[N+]([O-])=O)c1ccc(O)cc1
Show InChI InChI=1S/C24H15NO6/c26-16-8-4-14(5-9-16)24(15-6-10-17(27)11-7-15)20-12-13-21(25(29)30)18-2-1-3-19(22(18)20)23(28)31-24/h1-13,26-27H
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1.00E+3n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18769
PNG
(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Show SMILES Oc1ccc(cc1F)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(F)c1
Show InChI InChI=1S/C24H14F2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H
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PubMed
1.10E+3n/an/an/an/an/an/an/an/a



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18769
PNG
(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Show SMILES Oc1ccc(cc1F)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(F)c1
Show InChI InChI=1S/C24H14F2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H
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1.10E+3 -33.4n/an/an/an/an/a7.020



Università di Modena e Reggio Emilia



Assay Description
The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...


Chem Biol 10: 1183-93 (2003)


Article DOI: 10.1016/j.chembiol.2003.11.012
BindingDB Entry DOI: 10.7270/Q2TT4PDH
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426860
PNG
(CHEMBL2323395)
Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc4ccccc34)cc3cccc1c23
Show InChI InChI=1S/C22H13NO5S/c24-21-17-9-3-7-14-11-15(12-18(20(14)17)22(25)28-21)23-29(26,27)19-10-4-6-13-5-1-2-8-16(13)19/h1-12,23H
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18770
PNG
(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
Show SMILES Oc1ccc(cc1F)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)c(F)c1
Show InChI InChI=1S/C24H13ClF2O4/c25-17-7-6-16-22-14(17)2-1-3-15(22)23(30)31-24(16,12-4-8-20(28)18(26)10-12)13-5-9-21(29)19(27)11-13/h1-11,28-29H
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1.10E+3 -33.4n/an/an/an/an/a7.020



Università di Modena e Reggio Emilia



Assay Description
The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...


Chem Biol 10: 1183-93 (2003)


Article DOI: 10.1016/j.chembiol.2003.11.012
BindingDB Entry DOI: 10.7270/Q2TT4PDH
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18770
PNG
(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
Show SMILES Oc1ccc(cc1F)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)c(F)c1
Show InChI InChI=1S/C24H13ClF2O4/c25-17-7-6-16-22-14(17)2-1-3-15(22)23(30)31-24(16,12-4-8-20(28)18(26)10-12)13-5-9-21(29)19(27)11-13/h1-11,28-29H
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1.10E+3n/an/an/an/an/an/an/an/a



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426862
PNG
(CHEMBL2323393)
Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3ccc(s3)S(=O)(=O)c3ccccc3)cc3cccc1c23
Show InChI InChI=1S/C22H13NO7S3/c24-21-16-8-4-5-13-11-14(12-17(20(13)16)22(25)30-21)23-33(28,29)19-10-9-18(31-19)32(26,27)15-6-2-1-3-7-15/h1-12,23H
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426865
PNG
(CHEMBL2323390)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23
Show InChI InChI=1S/C18H10N2O7S/c21-17-14-3-1-2-10-8-11(9-15(16(10)14)18(22)27-17)19-28(25,26)13-6-4-12(5-7-13)20(23)24/h1-9,19H
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18760
PNG
(1,2-naphthalein derivative, 7 | 5,5-bis(3-chloro-4...)
Show SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2c1ccc1ccccc21)c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C24H14Cl2O4/c25-18-11-14(6-9-20(18)27)24(15-7-10-21(28)19(26)12-15)17-8-5-13-3-1-2-4-16(13)22(17)23(29)30-24/h1-12,27-28H
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1.20E+3 -33.2n/an/an/an/an/a7.420



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426863
PNG
(CHEMBL2323392)
Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)C(F)(F)F
Show InChI InChI=1S/C19H9F3N2O7S/c20-19(21,22)10-4-5-15(14(7-10)24(27)28)32(29,30)23-11-6-9-2-1-3-12-16(9)13(8-11)18(26)31-17(12)25/h1-8,23H
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18761
PNG
(1,2-naphthalein derivative, 8 | 5,5-bis(3-fluoro-4...)
Show SMILES Oc1ccc(cc1F)C1(OC(=O)c2c1ccc1ccccc21)c1ccc(O)c(F)c1
Show InChI InChI=1S/C24H14F2O4/c25-18-11-14(6-9-20(18)27)24(15-7-10-21(28)19(26)12-15)17-8-5-13-3-1-2-4-16(13)22(17)23(29)30-24/h1-12,27-28H
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1.40E+3 -32.9n/an/an/an/an/a7.420



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50077836
PNG
(7,7-Bis-(4-hydroxy-phenyl)-2,7-dihydro-1H-6-oxa-cy...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccc3CCc4ccc1c2c34)c1ccc(O)cc1
Show InChI InChI=1S/C26H18O4/c27-19-9-5-17(6-10-19)26(18-7-11-20(28)12-8-18)22-14-4-16-2-1-15-3-13-21(25(29)30-26)24(22)23(15)16/h3-14,27-28H,1-2H2
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1.50E+3n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18757
PNG
(1,2-naphthalein derivative, 3 | 3,3-bis(4-hydroxy-...)
Show SMILES Oc1ccc(cc1I)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)c(I)c1
Show InChI InChI=1S/C24H14I2O4/c25-18-11-14(6-9-20(18)27)24(15-7-10-21(28)19(26)12-15)22-16-4-2-1-3-13(16)5-8-17(22)23(29)30-24/h1-12,27-28H
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1.50E+3 -32.7n/an/an/an/an/a7.420



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50077838
PNG
(3,3-Bis-(3-fluoro-4-hydroxy-phenyl)-3H-naphtho[2,3...)
Show SMILES Oc1ccc(cc1F)C1(OC(=O)c2cc3ccccc3cc12)c1ccc(O)c(F)c1
Show InChI InChI=1S/C24H14F2O4/c25-19-11-15(5-7-21(19)27)24(16-6-8-22(28)20(26)12-16)18-10-14-4-2-1-3-13(14)9-17(18)23(29)30-24/h1-12,27-28H
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1.50E+3n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50077847
PNG
(3-(4-Hydroxy-naphthalen-1-yl)-3-(4-hydroxy-phenyl)...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)c2ccccc12
Show InChI InChI=1S/C24H16O4/c25-16-11-9-15(10-12-16)24(20-8-4-3-7-19(20)23(27)28-24)21-13-14-22(26)18-6-2-1-5-17(18)21/h1-14,25-26H
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1.50E+3n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50077850
PNG
(3,3-Bis-(3-chloro-4-hydroxy-phenyl)-3H-naphtho[2,3...)
Show SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2cc3ccccc3cc12)c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C24H14Cl2O4/c25-19-11-15(5-7-21(19)27)24(16-6-8-22(28)20(26)12-16)18-10-14-4-2-1-3-13(14)9-17(18)23(29)30-24/h1-12,27-28H
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1.50E+3n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18769
PNG
(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Show SMILES Oc1ccc(cc1F)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(F)c1
Show InChI InChI=1S/C24H14F2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H
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1.60E+3n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50077841
PNG
(6-Bromo-3,3-bis-(4-hydroxy-phenyl)-3H-benzo[de]iso...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2cccc3c(Br)ccc1c23)c1ccc(O)cc1
Show InChI InChI=1S/C24H15BrO4/c25-21-13-12-20-22-18(21)2-1-3-19(22)23(28)29-24(20,14-4-8-16(26)9-5-14)15-6-10-17(27)11-7-15/h1-13,26-27H
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1.70E+3n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50161779
PNG
((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O
Show InChI InChI=1S/C33H33N3O7S2/c1-35(2)29-13-5-11-26-24(29)9-7-15-31(26)44(39,40)34-28(33(37)38)21-22-17-19-23(20-18-22)43-45(41,42)32-16-8-10-25-27(32)12-6-14-30(25)36(3)4/h5-20,28,34H,21H2,1-4H3,(H,37,38)/t28-/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia via Campi 183



Assay Description
All compounds were screened for inhibitory activity against Lactobacillus casei thymidylate synthase (LcTS) and Escherichia coli thymidylate synthase...


Chembiochem 9: 779-90 (2008)


Article DOI: 10.1002/cbic.200700524
BindingDB Entry DOI: 10.7270/Q2PG1Q89
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50077845
PNG
(3,3-Bis-(3-chloro-4-hydroxy-phenyl)-3H-isobenzofur...)
Show SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2ccccc12)c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C20H12Cl2O4/c21-15-9-11(5-7-17(15)23)20(12-6-8-18(24)16(22)10-12)14-4-2-1-3-13(14)19(25)26-20/h1-10,23-24H
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1.90E+3n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426854
PNG
(CHEMBL2323362)
Show SMILES Cn1cc(cc1C(F)(F)F)-c1ccc(s1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23
Show InChI InChI=1S/C22H13F3N2O5S2/c1-27-10-12(8-17(27)22(23,24)25)16-5-6-18(33-16)34(30,31)26-13-7-11-3-2-4-14-19(11)15(9-13)21(29)32-20(14)28/h2-10,26H,1H3
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426866
PNG
(CHEMBL2323389)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23
Show InChI InChI=1S/C18H10N2O7S/c21-17-14-6-1-3-10-7-11(8-15(16(10)14)18(22)27-17)19-28(25,26)13-5-2-4-12(9-13)20(23)24/h1-9,19H
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2.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426864
PNG
(CHEMBL2323391)
Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccs3)cc3cccc1c23
Show InChI InChI=1S/C16H9NO5S2/c18-15-11-4-1-3-9-7-10(8-12(14(9)11)16(19)22-15)17-24(20,21)13-5-2-6-23-13/h1-8,17H
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2.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50077848
PNG
(3,3-Bis-(4-hydroxy-phenyl)-3H-benzo[de]isochromen-...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)cc1
Show InChI InChI=1S/C24H16O4/c25-18-11-7-16(8-12-18)24(17-9-13-19(26)14-10-17)21-6-2-4-15-3-1-5-20(22(15)21)23(27)28-24/h1-14,25-26H
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2.80E+3n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426859
PNG
(CHEMBL2323396)
Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc4cccnc34)cc3cccc1c23
Show InChI InChI=1S/C21H12N2O5S/c24-20-15-7-1-5-13-10-14(11-16(18(13)15)21(25)28-20)23-29(26,27)17-8-2-4-12-6-3-9-22-19(12)17/h1-11,23H
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2.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426871
PNG
(CHEMBL2323383)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23
Show InChI InChI=1S/C19H9ClN2O6/c20-14-5-4-10(7-15(14)22(26)27)17(23)21-11-6-9-2-1-3-12-16(9)13(8-11)19(25)28-18(12)24/h1-8H,(H,21,23)
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4.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18753
PNG
(4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...)
Show SMILES Oc1ccc(cc1Br)C1(OC(=O)c2ccc(Cl)c3cccc1c23)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C24H13Br2ClO4/c25-17-10-12(4-8-20(17)28)24(13-5-9-21(29)18(26)11-13)16-3-1-2-14-19(27)7-6-15(22(14)16)23(30)31-24/h1-11,28-29H
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4.10E+3 -30.2n/an/an/an/an/a7.420



University of California at San Francisco



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


Acta Crystallogr D Biol Crystallogr 61: 1320-34 (2005)


Article DOI: 10.1107/S0907444905022638
BindingDB Entry DOI: 10.7270/Q2WS8RHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18772
PNG
(1,8-naphthalein derivative, 16 | 4,4-bis(3-bromo-4...)
Show SMILES Oc1ccc(cc1Br)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C24H13Br2ClO4/c25-17-10-12(4-8-20(17)28)24(13-5-9-21(29)18(26)11-13)16-6-7-19(27)14-2-1-3-15(22(14)16)23(30)31-24/h1-11,28-29H
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4.10E+3 -30.2n/an/an/an/an/a7.020



Università di Modena e Reggio Emilia



Assay Description
The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...


Chem Biol 10: 1183-93 (2003)


Article DOI: 10.1016/j.chembiol.2003.11.012
BindingDB Entry DOI: 10.7270/Q2TT4PDH
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426867
PNG
(CHEMBL2323388)
Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3ccccc3)cc3cccc1c23
Show InChI InChI=1S/C18H11NO5S/c20-17-14-8-4-5-11-9-12(10-15(16(11)14)18(21)24-17)19-25(22,23)13-6-2-1-3-7-13/h1-10,19H
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4.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18755
PNG
(1,2-naphthalein derivative, 1 | 3,3-bis(4-hydroxyp...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)cc1
Show InChI InChI=1S/C24H16O4/c25-18-10-6-16(7-11-18)24(17-8-12-19(26)13-9-17)22-20-4-2-1-3-15(20)5-14-21(22)23(27)28-24/h1-14,25-26H
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4.40E+3 -30.1n/an/an/an/an/a7.420



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426872
PNG
(CHEMBL2323382)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23
Show InChI InChI=1S/C20H10F3NO4/c21-20(22,23)12-5-1-4-11(7-12)17(25)24-13-8-10-3-2-6-14-16(10)15(9-13)19(27)28-18(14)26/h1-9H,(H,24,25)
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4.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50426861
PNG
(CHEMBL2323394)
Show SMILES Clc1cc(c(Cl)s1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23
Show InChI InChI=1S/C16H7Cl2NO5S2/c17-12-6-11(14(18)25-12)26(22,23)19-8-4-7-2-1-3-9-13(7)10(5-8)16(21)24-15(9)20/h1-6,19H
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4.60E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM50077844
PNG
(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
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4.70E+3n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.


J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair
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