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13 similar compounds to monomer 50161777

Compile data set for download or QSAR
Wt: 554.6
BDBM36690
Wt: 639.1
BDBM36711
Wt: 731.9
BDBM36712
Wt: 560.5
BDBM36714
Wt: 589.0
BDBM36697
Wt: 568.6
BDBM36698
Wt: 599.6
BDBM36701
Wt: 604.6
BDBM36702
Wt: 611.6
BDBM36706
Wt: 701.8
BDBM36708
Wt: 604.6
BDBM36709
Wt: 619.7
BDBM50161775
Wt: 647.7
BDBM50161779
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 36690,36711,36712,36714,36697,36698,36701,36702,36706,36708,36709,50161775,50161779   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidylate synthase


(Escherichia coli)
BDBM50161775
PNG
((S)-2-(6-Amino-naphthalene-1-sulfonylamino)-3-[4-(...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cc(N)ccc23)C(O)=O)cc1
Show InChI InChI=1S/C31H29N3O7S2/c1-34(2)28-9-4-8-26-25(28)7-5-11-30(26)43(39,40)41-23-15-12-20(13-16-23)18-27(31(35)36)33-42(37,38)29-10-3-6-21-19-22(32)14-17-24(21)29/h3-17,19,27,33H,18,32H2,1-2H3,(H,35,36)/t27-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against thymidylate synthase from Escherichia coli


J Med Chem 48: 913-6 (2005)


Article DOI: 10.1021/jm0491445
BindingDB Entry DOI: 10.7270/Q20R9NXK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50161775
PNG
((S)-2-(6-Amino-naphthalene-1-sulfonylamino)-3-[4-(...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cc(N)ccc23)C(O)=O)cc1
Show InChI InChI=1S/C31H29N3O7S2/c1-34(2)28-9-4-8-26-25(28)7-5-11-30(26)43(39,40)41-23-15-12-20(13-16-23)18-27(31(35)36)33-42(37,38)29-10-3-6-21-19-22(32)14-17-24(21)29/h3-17,19,27,33H,18,32H2,1-2H3,(H,35,36)/t27-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against thymidylate synthase from Lactobacillus casei


J Med Chem 48: 913-6 (2005)


Article DOI: 10.1021/jm0491445
BindingDB Entry DOI: 10.7270/Q20R9NXK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50161775
PNG
((S)-2-(6-Amino-naphthalene-1-sulfonylamino)-3-[4-(...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cc(N)ccc23)C(O)=O)cc1
Show InChI InChI=1S/C31H29N3O7S2/c1-34(2)28-9-4-8-26-25(28)7-5-11-30(26)43(39,40)41-23-15-12-20(13-16-23)18-27(31(35)36)33-42(37,38)29-10-3-6-21-19-22(32)14-17-24(21)29/h3-17,19,27,33H,18,32H2,1-2H3,(H,35,36)/t27-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against human thymidylate synthase


J Med Chem 48: 913-6 (2005)


Article DOI: 10.1021/jm0491445
BindingDB Entry DOI: 10.7270/Q20R9NXK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
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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1.40E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against thymidylate synthase from Lactobacillus casei


J Med Chem 48: 913-6 (2005)


Article DOI: 10.1021/jm0491445
BindingDB Entry DOI: 10.7270/Q20R9NXK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
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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1.40E+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
Thymidylate synthase


(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

Curated by ChEMBL


Assay Description
Inhibitory constant against thymidylate synthase from Escherichia coli


J Med Chem 48: 913-6 (2005)


Article DOI: 10.1021/jm0491445
BindingDB Entry DOI: 10.7270/Q20R9NXK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


(Lactobacillus casei)
BDBM36701
PNG
(Dansyl derivative, 3L | Dansyltyrosine deriviative...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1
Show InChI InChI=1S/C27H25N3O9S2/c1-29(2)25-7-3-6-23-22(25)5-4-8-26(23)41(37,38)39-20-13-9-18(10-14-20)17-24(27(31)32)28-40(35,36)21-15-11-19(12-16-21)30(33)34/h3-16,24,28H,17H2,1-2H3,(H,31,32)/t24-/m0/s1
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2.50E+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
Thymidylate synthase


(Homo sapiens (Human))
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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4.90E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against human thymidylate synthase


J Med Chem 48: 913-6 (2005)


Article DOI: 10.1021/jm0491445
BindingDB Entry DOI: 10.7270/Q20R9NXK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM36701
PNG
(Dansyl derivative, 3L | Dansyltyrosine deriviative...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1
Show InChI InChI=1S/C27H25N3O9S2/c1-29(2)25-7-3-6-23-22(25)5-4-8-26(23)41(37,38)39-20-13-9-18(10-14-20)17-24(27(31)32)28-40(35,36)21-15-11-19(12-16-21)30(33)34/h3-16,24,28H,17H2,1-2H3,(H,31,32)/t24-/m0/s1
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>1.33E+6n/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
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36712
PNG
(Dansyltyrosine deriviative 31B)
Show SMILES CCCCN(CCCC)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/C39H45N3O7S2/c1-5-7-25-42(26-8-6-2)36-18-10-15-32-31(36)14-11-19-37(32)50(45,46)40-34(39(43)44)27-28-21-23-29(24-22-28)49-51(47,48)38-20-12-13-30-33(38)16-9-17-35(30)41(3)4/h9-24,34,40H,5-8,25-27H2,1-4H3,(H,43,44)/t34-/m0/s1
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n/an/a 5.30E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36714
PNG
(Dansyltyrosine deriviative 34B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)CC(F)(F)F)C(O)=O)cc1
Show InChI InChI=1S/C23H23F3N2O7S2/c1-28(2)20-7-3-6-18-17(20)5-4-8-21(18)37(33,34)35-16-11-9-15(10-12-16)13-19(22(29)30)27-36(31,32)14-23(24,25)26/h3-12,19,27H,13-14H2,1-2H3,(H,29,30)/t19-/m0/s1
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n/an/a 9.00E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
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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n/an/a 1.19E+5n/an/an/an/an/an/a



University of California San Francisco



Assay Description
Affinity assay of specificities of thymidylate synthase (TS)inhibitors


Chem Biol 8: 981-95 (2001)


Article DOI: 10.1016/S1074-5521(01)00067-9
BindingDB Entry DOI: 10.7270/Q24M92XD
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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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California San Francisco



Assay Description
Affinity assay of specificities of thymidylate synthase (TS)inhibitors


Chem Biol 8: 981-95 (2001)


Article DOI: 10.1016/S1074-5521(01)00067-9
BindingDB Entry DOI: 10.7270/Q24M92XD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidylate Synthase (TS)


(Lactobacillus casei)
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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n/an/a 3.40E+3n/an/an/an/an/an/a



University of California San Francisco



Assay Description
Affinity assay of specificities of thymidylate synthase (TS)inhibitors


Chem Biol 8: 981-95 (2001)


Article DOI: 10.1016/S1074-5521(01)00067-9
BindingDB Entry DOI: 10.7270/Q24M92XD
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36711
PNG
(Dansyltyrosine deriviative 30B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3c(Cl)cccc23)C(O)=O)cc1
Show InChI InChI=1S/C31H27ClN2O7S2/c1-34(2)28-12-4-10-25-23(28)8-6-14-30(25)43(39,40)41-21-17-15-20(16-18-21)19-27(31(35)36)33-42(37,38)29-13-5-7-22-24(29)9-3-11-26(22)32/h3-18,27,33H,19H2,1-2H3,(H,35,36)/t27-/m0/s1
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n/an/a 1.10E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36709
PNG
(Dansyltyrosine deriviative 28B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3ccccc23)C(O)=O)cc1
Show InChI InChI=1S/C31H28N2O7S2/c1-33(2)28-13-6-12-26-25(28)11-7-15-30(26)42(38,39)40-23-18-16-21(17-19-23)20-27(31(34)35)32-41(36,37)29-14-5-9-22-8-3-4-10-24(22)29/h3-19,27,32H,20H2,1-2H3,(H,34,35)/t27-/m0/s1
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n/an/a 1.00E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36708
PNG
(Dansyltyrosine deriviative 27B)
Show SMILES CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O
Show InChI InChI=1S/C35H35N5O7S2/c1-39(2)27-17-13-25(14-18-27)36-37-26-15-21-29(22-16-26)48(43,44)38-32(35(41)42)23-24-11-19-28(20-12-24)47-49(45,46)34-10-6-7-30-31(34)8-5-9-33(30)40(3)4/h5-22,32,38H,23H2,1-4H3,(H,41,42)/b37-36+/t32-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36706
PNG
(Dansyltyrosine deriviative 25B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(O)=O)cc1
Show InChI InChI=1S/C29H29N3O8S2/c1-19(33)30-21-12-16-23(17-13-21)41(36,37)31-26(29(34)35)18-20-10-14-22(15-11-20)40-42(38,39)28-9-5-6-24-25(28)7-4-8-27(24)32(2)3/h4-17,26,31H,18H2,1-3H3,(H,30,33)(H,34,35)/t26-/m0/s1
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n/an/a 2.90E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
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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n/an/a 3.40E+3n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36702
PNG
(Dansyltyrosine deriviative 20B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(O)=O)cc1
Show InChI InChI=1S/C31H28N2O7S2/c1-33(2)29-11-5-10-27-26(29)9-6-12-30(27)42(38,39)40-24-16-13-21(14-17-24)19-28(31(34)35)32-41(36,37)25-18-15-22-7-3-4-8-23(22)20-25/h3-18,20,28,32H,19H2,1-2H3,(H,34,35)/t28-/m0/s1
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n/an/a 4.70E+3n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36701
PNG
(Dansyl derivative, 3L | Dansyltyrosine deriviative...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1
Show InChI InChI=1S/C27H25N3O9S2/c1-29(2)25-7-3-6-23-22(25)5-4-8-26(23)41(37,38)39-20-13-9-18(10-14-20)17-24(27(31)32)28-40(35,36)21-15-11-19(12-16-21)30(33)34/h3-16,24,28H,17H2,1-2H3,(H,31,32)/t24-/m0/s1
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n/an/a 1.00E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36698
PNG
(Dansyltyrosine deriviative 15B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1
Show InChI InChI=1S/C28H28N2O7S2/c1-19-10-16-22(17-11-19)38(33,34)29-25(28(31)32)18-20-12-14-21(15-13-20)37-39(35,36)27-9-5-6-23-24(27)7-4-8-26(23)30(2)3/h4-17,25,29H,18H2,1-3H3,(H,31,32)/t25-/m0/s1
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n/an/a 2.00E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36697
PNG
(Dansyltyrosine deriviative 14B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C27H25ClN2O7S2/c1-30(2)24-10-5-8-21-20(24)7-6-12-25(21)39(35,36)37-19-15-13-18(14-16-19)17-23(27(31)32)29-38(33,34)26-11-4-3-9-22(26)28/h3-16,23,29H,17H2,1-2H3,(H,31,32)/t23-/m0/s1
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n/an/a 2.10E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
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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n/an/a 7.00E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36690
PNG
(Dansyltyrosine deriviative 7B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C27H26N2O7S2/c1-29(2)25-12-6-11-23-22(25)10-7-13-26(23)38(34,35)36-20-16-14-19(15-17-20)18-24(27(30)31)28-37(32,33)21-8-4-3-5-9-21/h3-17,24,28H,18H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/a 6.70E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair