Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50026100 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50207303
(5-BROMO-2'-DEOXY URIDINE | 5-bromo-1-((2R,4S,5R)-4...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 | PDB MMDB
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| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271448
(5-[5-Chloro-4-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-...)Show InChI InChI=1S/C15H15ClN2O4/c16-12-9-18(15(22)17-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(19)20/h4-7,9H,1-3,8H2,(H,19,20)(H,17,21,22) | PDB MMDB
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UniProtKB/SwissProt
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| 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50246637
(5-chloro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Cl)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11ClN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 | PDB MMDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50164412
(4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl...)Show InChI InChI=1S/C15H15BrN2O4/c16-12-9-18(15(22)17-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(19)20/h4-7,9H,1-3,8H2,(H,19,20)(H,17,21,22) | PDB MMDB
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UniProtKB/SwissProt
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50164421
(4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H -pyrimidin...)Show InChI InChI=1S/C16H18N2O4/c1-11-9-18(16(22)17-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(19)20/h5-9H,2-4,10H2,1H3,(H,19,20)(H,17,21,22) | PDB MMDB
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| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271531
(5-(4-((5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2...)Show InChI InChI=1S/C16H17ClN2O4/c17-13-10-19(16(23)18-15(13)22)9-12-7-5-11(6-8-12)3-1-2-4-14(20)21/h5-8,10H,1-4,9H2,(H,20,21)(H,18,22,23) | PDB MMDB
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Similars
| Article PubMed
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271576
(6-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H...)Show SMILES NC(=O)CCCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C17H20BrN3O3/c18-14-11-21(17(24)20-16(14)23)10-13-8-6-12(7-9-13)4-2-1-3-5-15(19)22/h6-9,11H,1-5,10H2,(H2,19,22)(H,20,23,24) | PDB MMDB
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Similars
| Article PubMed
| 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271575
(6-(4-((5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2...)Show SMILES OC(=O)CCCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C17H19ClN2O4/c18-14-11-20(17(24)19-16(14)23)10-13-8-6-12(7-9-13)4-2-1-3-5-15(21)22/h6-9,11H,1-5,10H2,(H,21,22)(H,19,23,24) | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271577
(6-(4-((5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2...)Show SMILES NC(=O)CCCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C17H20ClN3O3/c18-14-11-21(17(24)20-16(14)23)10-13-8-6-12(7-9-13)4-2-1-3-5-15(19)22/h6-9,11H,1-5,10H2,(H2,19,22)(H,20,23,24) | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271534
(6-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2...)Show InChI InChI=1S/C18H23N3O3/c1-13-11-21(18(24)20-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(19)22/h7-11H,2-6,12H2,1H3,(H2,19,22)(H,20,23,24) | PDB MMDB
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UniProtKB/SwissProt
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Similars
| Article PubMed
| 2.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM1
(dT | thymidine)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+ | PDB MMDB
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| 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271535
(6-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H...)Show SMILES OC(=O)CCCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C17H19BrN2O4/c18-14-11-20(17(24)19-16(14)23)10-13-8-6-12(7-9-13)4-2-1-3-5-15(21)22/h6-9,11H,1-5,10H2,(H,21,22)(H,19,23,24) | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271532
(5-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H...)Show InChI InChI=1S/C16H18BrN3O3/c17-13-10-20(16(23)19-15(13)22)9-12-7-5-11(6-8-12)3-1-2-4-14(18)21/h5-8,10H,1-4,9H2,(H2,18,21)(H,19,22,23) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50164420
(1-(4-Bromo-benzyl)-5-methyl-1H-pyrimidine-2,4-dion...)Show InChI InChI=1S/C12H11BrN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16,17) | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271494
(5-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H...)Show InChI InChI=1S/C16H17BrN2O4/c17-13-10-19(16(23)18-15(13)22)9-12-7-5-11(6-8-12)3-1-2-4-14(20)21/h5-8,10H,1-4,9H2,(H,20,21)(H,18,22,23) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271303
(4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H -pyrimidin...)Show SMILES Cc1cn(Cc2ccc(\C=C\CC(O)=O)cc2)c(=O)[nH]c1=O Show InChI InChI=1S/C16H16N2O4/c1-11-9-18(16(22)17-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(19)20/h2-3,5-9H,4,10H2,1H3,(H,19,20)(H,17,21,22)/b3-2+ | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271491
(4-(5-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-y...)Show InChI InChI=1S/C15H16ClN3O3/c16-12-9-19(15(22)18-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(17)20/h4-7,9H,1-3,8H2,(H2,17,20)(H,18,21,22) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271490
(4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H -pyrimidin-1-y...)Show InChI InChI=1S/C15H16BrN3O3/c16-12-9-19(15(22)18-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(17)20/h4-7,9H,1-3,8H2,(H2,17,20)(H,18,21,22) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50164414
(6-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2...)Show InChI InChI=1S/C18H22N2O4/c1-13-11-20(18(24)19-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(21)22/h7-11H,2-6,12H2,1H3,(H,21,22)(H,19,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271446
(1-(4-(4-hydroxybutyl)benzyl)-5-methylpyrimidine-2,...)Show InChI InChI=1S/C16H20N2O3/c1-12-10-18(16(21)17-15(12)20)11-14-7-5-13(6-8-14)4-2-3-9-19/h5-8,10,19H,2-4,9,11H2,1H3,(H,17,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50272059
(CHEMBL526527 | methyl 4-(4-((5-bromo-2,4-dioxo-3,4...)Show InChI InChI=1S/C16H17BrN2O4/c1-23-14(20)4-2-3-11-5-7-12(8-6-11)9-19-10-13(17)15(21)18-16(19)22/h5-8,10H,2-4,9H2,1H3,(H,18,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50164411
(3-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2...)Show InChI InChI=1S/C15H16N2O4/c1-10-8-17(15(21)16-14(10)20)9-12-4-2-11(3-5-12)6-7-13(18)19/h2-5,8H,6-7,9H2,1H3,(H,18,19)(H,16,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271493
(5-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2...)Show InChI InChI=1S/C17H21N3O3/c1-12-10-20(17(23)19-16(12)22)11-14-8-6-13(7-9-14)4-2-3-5-15(18)21/h6-10H,2-5,11H2,1H3,(H2,18,21)(H,19,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271492
(5-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2...)Show InChI InChI=1S/C17H20N2O4/c1-12-10-19(17(23)18-16(12)22)11-14-8-6-13(7-9-14)4-2-3-5-15(20)21/h6-10H,2-5,11H2,1H3,(H,20,21)(H,18,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271624
(CHEMBL448393 | methyl 4-(4-((5-chloro-2,4-dioxo-3,...)Show InChI InChI=1S/C16H17ClN2O4/c1-23-14(20)4-2-3-11-5-7-12(8-6-11)9-19-10-13(17)15(21)18-16(19)22/h5-8,10H,2-4,9H2,1H3,(H,18,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271445
(1-[4-(4-Hydroxy-butyn-1-yl)-benzyl]-5-methyl-1Hpyr...)Show InChI InChI=1S/C16H16N2O3/c1-12-10-18(16(21)17-15(12)20)11-14-7-5-13(6-8-14)4-2-3-9-19/h5-8,10,19H,3,9,11H2,1H3,(H,17,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271302
(3-benzyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy...)Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(Cc2ccccc2)c1=O |r| Show InChI InChI=1S/C17H20N2O6/c1-10-7-19(16-14(22)13(21)12(9-20)25-16)17(24)18(15(10)23)8-11-5-3-2-4-6-11/h2-7,12-14,16,20-22H,8-9H2,1H3/t12-,13-,14-,16-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50164407
(3-(4-(thymin-1-ylmethyl)phenyl)propionamide | 3-[4...)Show InChI InChI=1S/C15H17N3O3/c1-10-8-18(15(21)17-14(10)20)9-12-4-2-11(3-5-12)6-7-13(16)19/h2-5,8H,6-7,9H2,1H3,(H2,16,19)(H,17,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50271535
(6-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H...)Show SMILES OC(=O)CCCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C17H19BrN2O4/c18-14-11-20(17(24)19-16(14)23)10-13-8-6-12(7-9-13)4-2-1-3-5-15(21)22/h6-9,11H,1-5,10H2,(H,21,22)(H,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271533
(6-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2...)Show SMILES Cc1cn(Cc2ccc(cc2)C#CCCCC(O)=O)c(=O)[nH]c1=O Show InChI InChI=1S/C18H18N2O4/c1-13-11-20(18(24)19-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(21)22/h7-11H,2,4,6,12H2,1H3,(H,21,22)(H,19,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271444
(4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H -pyrimidin...)Show InChI InChI=1S/C16H19N3O3/c1-11-9-19(16(22)18-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(17)20/h5-9H,2-4,10H2,1H3,(H2,17,20)(H,18,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.12E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50271531
(5-(4-((5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2...)Show InChI InChI=1S/C16H17ClN2O4/c17-13-10-19(16(23)18-15(13)22)9-12-7-5-11(6-8-12)3-1-2-4-14(20)21/h5-8,10H,1-4,9H2,(H,20,21)(H,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM1
(dT | thymidine)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50164417
((E)-3-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimi...)Show SMILES Cc1cn(Cc2ccc(C=CC(N)=O)cc2)c(=O)[nH]c1=O |w:9.8| Show InChI InChI=1S/C15H15N3O3/c1-10-8-18(15(21)17-14(10)20)9-12-4-2-11(3-5-12)6-7-13(16)19/h2-8H,9H2,1H3,(H2,16,19)(H,17,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.95E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50271447
(4-[4-(2,4-Dioxo-3,4-dihydro-2H -pyrimidin-1-ylmeth...)Show InChI InChI=1S/C15H16N2O4/c18-13-8-9-17(15(21)16-13)10-12-6-4-11(5-7-12)2-1-3-14(19)20/h4-9H,1-3,10H2,(H,19,20)(H,16,18,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50207303
(5-BROMO-2'-DEOXY URIDINE | 5-bromo-1-((2R,4S,5R)-4...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50164421
(4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H -pyrimidin...)Show InChI InChI=1S/C16H18N2O4/c1-11-9-18(16(22)17-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(19)20/h5-9H,2-4,10H2,1H3,(H,19,20)(H,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50164412
(4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl...)Show InChI InChI=1S/C15H15BrN2O4/c16-12-9-18(15(22)17-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(19)20/h4-7,9H,1-3,8H2,(H,19,20)(H,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.93E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50271448
(5-[5-Chloro-4-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-...)Show InChI InChI=1S/C15H15ClN2O4/c16-12-9-18(15(22)17-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(19)20/h4-7,9H,1-3,8H2,(H,19,20)(H,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |