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31 similar compounds to monomer 50023642

Wt: 486.4
BDBM50021746
Wt: 508.4
BDBM50021751
Wt: 472.3
BDBM50021752
Wt: 332.2
BDBM50028378
Wt: 338.2
BDBM50094621
Wt: 336.1
BDBM50132286
Wt: 388.2
BDBM50132302
Wt: 396.2
BDBM50132304
Wt: 372.2
BDBM50132288
Wt: 322.2
BDBM50332929
Purchase
Wt: 357.2
BDBM50351759
Wt: 400.2
BDBM50351762
Wt: 412.2
BDBM50351768
Wt: 336.1
BDBM50016806
Wt: 333.1
BDBM50010240
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50021746,50021751,50021752,50028378,50094621,50132286,50132302,50132304,50132288,50332929,50351759,50351762,50351768,50016806,50010240   
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 (TS)


(Lactobacillus casei)
BDBM50016806
PNG
(CHEMBL1236552)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2-3,6-8,14H,1,4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amethopterin-resistant Lactobacillus casei thymidylate synthetase-catalyzed dTMP formation using dUMP as substrate by spectrophotometri...


J Med Chem 20: 1469-73 (1977)


Article DOI: 10.1021/jm00221a021
BindingDB Entry DOI: 10.7270/Q2P55Q1K
More data for this
Ligand-Target Pair
Thymidylate synthase


(Lactobacillus casei)
BDBM50028378
PNG
(CHEMBL28799 | CHEMBL3143871 | Phosphoric acid mono...)
Show SMILES OC1CC(OC1COP(O)(O)=O)n1cc(C#C)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H13N2O8P/c1-2-6-4-13(11(16)12-10(6)15)9-3-7(14)8(21-9)5-20-22(17,18)19/h1,4,7-9,14H,3,5H2,(H,12,15,16)(H2,17,18,19)
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of dTMP synthetase from Lactobacillus casei


J Med Chem 24: 1385-8 (1982)


Article DOI: 10.1021/jm00144a003
BindingDB Entry DOI: 10.7270/Q2MS3RSP
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50010240
PNG
(CHEMBL3246102)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C#N)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H12N3O8P/c11-2-5-3-13(10(16)12-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h3,6-8,14H,1,4H2,(H,12,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
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550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidylate synthase purified from methotrexate-resistant Lactobacillus casei using 2'-deoxy[5-3H]uridine 5'-phosphate by r...


J Med Chem 22: 1137-9 (1979)


Article DOI: 10.1021/jm00195a028
BindingDB Entry DOI: 10.7270/Q2XK8H3F
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50094621
PNG
(CHEMBL143398 | Phosphoric acid mono-[3-hydroxy-5-(...)
Show SMILES OCc1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)
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900n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Time-independent inhibition of thymidylate synthase from FdUrd-resistant L1210 cells


J Med Chem 43: 4647-56 (2001)


Article DOI: 10.1021/jm000975u
BindingDB Entry DOI: 10.7270/Q2TT4RPX
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50021746
PNG
(CHEMBL132426 | CHEMBL3143107 | Phosphoric acid mon...)
Show SMILES COc1c(C)c(C)c(OC)c(c1C)-c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H27N2O10P/c1-9-10(2)18(30-5)16(11(3)17(9)29-4)12-7-22(20(25)21-19(12)24)15-6-13(23)14(32-15)8-31-33(26,27)28/h7,13-15,23H,6,8H2,1-5H3,(H,21,24,25)(H2,26,27,28)
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from L. casei was determined and expressed as inhibition constant(Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50021751
PNG
(CHEMBL134617 | CHEMBL3143106 | Phosphoric acid mon...)
Show SMILES COc1c(C)c(c(OC)c2ccccc12)-c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H25N2O10P/c1-11-18(20(32-3)13-7-5-4-6-12(13)19(11)31-2)14-9-24(22(27)23-21(14)26)17-8-15(25)16(34-17)10-33-35(28,29)30/h4-7,9,15-17,25H,8,10H2,1-3H3,(H,23,26,27)(H2,28,29,30)
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2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from L. casei was determined and expressed as inhibition constant(Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50028378
PNG
(CHEMBL28799 | CHEMBL3143871 | Phosphoric acid mono...)
Show SMILES OC1CC(OC1COP(O)(O)=O)n1cc(C#C)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H13N2O8P/c1-2-6-4-13(11(16)12-10(6)15)9-3-7(14)8(21-9)5-20-22(17,18)19/h1,4,7-9,14H,3,5H2,(H,12,15,16)(H2,17,18,19)
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of dTMP synthetase from L. casei


J Med Chem 24: 1537-40 (1982)


Article DOI: 10.1021/jm00144a036
BindingDB Entry DOI: 10.7270/Q2H1311M
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50021752
PNG
(CHEMBL134170 | CHEMBL3143105 | Phosphoric acid mon...)
Show SMILES COc1cc(c(OC)c(C)c1C)-c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H25N2O10P/c1-9-10(2)17(29-4)11(5-14(9)28-3)12-7-21(19(24)20-18(12)23)16-6-13(22)15(31-16)8-30-32(25,26)27/h5,7,13,15-16,22H,6,8H2,1-4H3,(H,20,23,24)(H2,25,26,27)
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3.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from L. casei was determined and expressed as inhibition constant (Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50094621
PNG
(CHEMBL143398 | Phosphoric acid mono-[3-hydroxy-5-(...)
Show SMILES OCc1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)
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3.70E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Time-independent inhibition of thymidylate synthase from parenteral L1210 cells


J Med Chem 43: 4647-56 (2001)


Article DOI: 10.1021/jm000975u
BindingDB Entry DOI: 10.7270/Q2TT4RPX
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50332929
PNG
(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-di...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry


Eur J Med Chem 45: 5910-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.056
BindingDB Entry DOI: 10.7270/Q2PN95WH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50332929
PNG
(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-di...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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8.69E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amethopterin-resistant Lactobacillus casei thymidylate synthetase-catalyzed 5-BrdUMP dehalogenation by absorbance analysis in absence o...


J Med Chem 20: 1469-73 (1977)


Article DOI: 10.1021/jm00221a021
BindingDB Entry DOI: 10.7270/Q2P55Q1K
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50332929
PNG
(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-di...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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1.55E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amethopterin-resistant Lactobacillus casei thymidylate synthetase-catalyzed dTMP formation using dUMP as substrate by spectrophotometri...


J Med Chem 20: 1469-73 (1977)


Article DOI: 10.1021/jm00221a021
BindingDB Entry DOI: 10.7270/Q2P55Q1K
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132304
PNG
((R)-5-Benzyl-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H19N2O8P/c19-12-7-14(26-13(12)9-25-27(22,23)24)18-8-11(15(20)17-16(18)21)6-10-4-2-1-3-5-10/h1-5,8,12-14,19H,6-7,9H2,(H,17,20,21)(H2,22,23,24)/p-2/t12-,13+,14+/m0/s1
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2.80E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132286
PNG
((R)-5-Hydroxymethyl-1-((4S,5R)-4-hydroxy-5-methylp...)
Show SMILES OCc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/p-2/t6-,7+,8+/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase by HPLC analysis


Bioorg Med Chem 21: 257-68 (2012)


Article DOI: 10.1016/j.bmc.2012.10.018
BindingDB Entry DOI: 10.7270/Q2GB25BQ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132286
PNG
((R)-5-Hydroxymethyl-1-((4S,5R)-4-hydroxy-5-methylp...)
Show SMILES OCc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/p-2/t6-,7+,8+/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132288
PNG
((R)-5-Furan-2-yl-1-((4S,5R)-4-hydroxy-5-methylphos...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2ccco2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H15N2O9P/c16-8-4-11(24-10(8)6-23-25(19,20)21)15-5-7(9-2-1-3-22-9)12(17)14-13(15)18/h1-3,5,8,10-11,16H,4,6H2,(H,14,17,18)(H2,19,20,21)/p-2/t8-,10+,11+/m0/s1
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1.40E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132302
PNG
((R)-1-((4S,5R)-4-Hydroxy-5-methylphosphate-tetrahy...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2cccs2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H15N2O8PS/c16-8-4-11(23-9(8)6-22-24(19,20)21)15-5-7(10-2-1-3-25-10)12(17)14-13(15)18/h1-3,5,8-9,11,16H,4,6H2,(H,14,17,18)(H2,19,20,21)/p-2/t8-,9+,11+/m0/s1
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2.70E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
Thymidylate synthase thyX


(Mycobacterium tuberculosis)
BDBM50351759
PNG
(CHEMBL1823493)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(C=CC#N)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H14N3O8P/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(23-10)6-22-24(19,20)21/h1-2,5,8-10,16H,4,6H2,(H,14,17,18)(H2,19,20,21)/p-2/t8-,9+,10+/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ThyX-mediated dTMP synthesis using [5-3H]dUMP as substrate after 10 mins by liquid scintillation counting


J Med Chem 54: 4847-62 (2011)


Article DOI: 10.1021/jm2004688
BindingDB Entry DOI: 10.7270/Q24J0FG1
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mycobacterium tuberculosis)
BDBM50351759
PNG
(CHEMBL1823493)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(C=CC#N)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H14N3O8P/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(23-10)6-22-24(19,20)21/h1-2,5,8-10,16H,4,6H2,(H,14,17,18)(H2,19,20,21)/p-2/t8-,9+,10+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis His-tagged ThyA-mediated dTMP synthesis expressed in BL21 (DE3) Escherichia coli RbCl cells after 30 mins by...


J Med Chem 54: 4847-62 (2011)


Article DOI: 10.1021/jm2004688
BindingDB Entry DOI: 10.7270/Q24J0FG1
More data for this
Ligand-Target Pair
Thymidylate synthase thyX


(Mycobacterium tuberculosis)
BDBM50351768
PNG
(CHEMBL1823495)
Show SMILES COc1cccc(c1)-c1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H19N2O9P/c1-25-10-4-2-3-9(5-10)11-7-18(16(21)17-15(11)20)14-6-12(19)13(27-14)8-26-28(22,23)24/h2-5,7,12-14,19H,6,8H2,1H3,(H,17,20,21)(H2,22,23,24)/p-2/t12-,13+,14+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ThyX-mediated dTMP synthesis using [5-3H]dUMP as substrate after 10 mins by liquid scintillation counting


J Med Chem 54: 4847-62 (2011)


Article DOI: 10.1021/jm2004688
BindingDB Entry DOI: 10.7270/Q24J0FG1
More data for this
Ligand-Target Pair
Thymidylate synthase thyX


(Mycobacterium tuberculosis)
BDBM50351762
PNG
(CHEMBL1823494)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H16FN2O8P/c16-9-3-1-8(2-4-9)10-6-18(15(21)17-14(10)20)13-5-11(19)12(26-13)7-25-27(22,23)24/h1-4,6,11-13,19H,5,7H2,(H,17,20,21)(H2,22,23,24)/p-2/t11-,12+,13+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ThyX-mediated dTMP synthesis using [5-3H]dUMP as substrate after 10 mins by liquid scintillation counting


J Med Chem 54: 4847-62 (2011)


Article DOI: 10.1021/jm2004688
BindingDB Entry DOI: 10.7270/Q24J0FG1
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mycobacterium tuberculosis)
BDBM50351768
PNG
(CHEMBL1823495)
Show SMILES COc1cccc(c1)-c1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H19N2O9P/c1-25-10-4-2-3-9(5-10)11-7-18(16(21)17-15(11)20)14-6-12(19)13(27-14)8-26-28(22,23)24/h2-5,7,12-14,19H,6,8H2,1H3,(H,17,20,21)(H2,22,23,24)/p-2/t12-,13+,14+/m0/s1
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Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis His-tagged ThyA-mediated dTMP synthesis expressed in BL21 (DE3) Escherichia coli RbCl cells after 30 mins by...


J Med Chem 54: 4847-62 (2011)


Article DOI: 10.1021/jm2004688
BindingDB Entry DOI: 10.7270/Q24J0FG1
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mycobacterium tuberculosis)
BDBM50351762
PNG
(CHEMBL1823494)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H16FN2O8P/c16-9-3-1-8(2-4-9)10-6-18(15(21)17-14(10)20)13-5-11(19)12(26-13)7-25-27(22,23)24/h1-4,6,11-13,19H,5,7H2,(H,17,20,21)(H2,22,23,24)/p-2/t11-,12+,13+/m0/s1
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Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis His-tagged ThyA-mediated dTMP synthesis expressed in BL21 (DE3) Escherichia coli RbCl cells after 30 mins by...


J Med Chem 54: 4847-62 (2011)


Article DOI: 10.1021/jm2004688
BindingDB Entry DOI: 10.7270/Q24J0FG1
More data for this
Ligand-Target Pair