Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50035325   

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)	BDBM50132296 (5-Bromo-1-((2R,5R)-5-methyl-tetrahydro-furan-2-yl)...) Show SMILES C[C@@H]1CC[C@@H](O1)n1cc(Br)c(=O)[nH]c1=O Show InChI InChI=1S/C9H11BrN2O3/c1-5-2-3-7(15-5)12-4-6(10)8(13)11-9(12)14/h4-5,7H,2-3H2,1H3,(H,11,13,14)/t5-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132305 (1-((2R,4S,5R)-5-(azidomethyl)-4-hydroxy-tetrahydro...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50118628 ((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132297 (1-((2R,4S,5R)-5-(aminomethyl)-4-hydroxy-tetrahydro...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50118625 ((R)-1-((R)-3-Chloro-4-hydroxy-5-methylphosphate-te...) Show SMILES Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2Cl)c(=O)[nH]c1=O Show InChI InChI=1S/C10H14ClN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132304 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50002692 ((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132287 (1-((2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydro...) Show SMILES Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50118623 ((R)-1-((R)-3-Fluoro-4-hydroxy-5-methylphosphate-te...) Show SMILES Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C10H14FN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50118627 ((R)-1-((R)-4-Amino-3-hydroxy-5-methylphosphate-tet...) Show SMILES Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](N)[C@H]2O)c(=O)[nH]c1=O Show InChI InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)15)9-7(14)6(11)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3,11H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132307 (CHEMBL322925 | N-[(2R,5R)-3-Hydroxy-5-(5-methyl-2,...) Show SMILES CC(=O)NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C12H17N3O5/c1-6-5-15(12(19)14-11(6)18)10-3-8(17)9(20-10)4-13-7(2)16/h5,8-10,17H,3-4H2,1-2H3,(H,13,16)(H,14,18,19)/t8-,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132298 (1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahyd...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F |r| Show InChI InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132286 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50118624 ((R)-1-((R)-3-Amino-4-hydroxy-5-methylphosphate-tet...) Show SMILES Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2N)c(=O)[nH]c1=O Show InChI InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3,11H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132306 (1-((2R,5R)-3-Fluoro-4-hydroxy-5-hydroxymethyl-tetr...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132288 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132290 (CHEMBL320200 | N-[(2S,5R)-4-Hydroxy-2-hydroxymethy...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=C(N)N)[C@H]2O)c(=O)[nH]c1=O |wU:4.3,6.6,wD:9.9,14.15,(12.72,-.05,;12.72,-1.59,;11.39,-2.36,;11.39,-3.9,;10.06,-4.67,;8.66,-4.04,;7.64,-5.19,;6.1,-5.04,;5.47,-3.62,;8.41,-6.53,;7.8,-7.94,;6.26,-8.1,;5.35,-6.87,;5.63,-9.52,;9.92,-6.21,;11.07,-7.23,;12.72,-4.67,;12.72,-6.21,;14.05,-3.9,;14.05,-2.36,;15.41,-1.59,)| Show InChI InChI=1S/C11H17N5O5/c1-4-2-16(11(20)15-8(4)19)9-7(18)6(14-10(12)13)5(3-17)21-9/h2,5-7,9,17-18H,3H2,1H3,(H4,12,13,14)(H,15,19,20)/t5-,6-,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132293 ((R)-1-((S)-5-Hydroxy-6-(R)-5-methylphosphate-tetra...) Show SMILES Cc1cn([C@@H]2CO[C@H](COP([O-])([O-])=O)[C@@H](O)C2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H17N2O8P/c1-6-3-13(11(16)12-10(6)15)7-2-8(14)9(20-4-7)5-21-22(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t7-,8-,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132294 (1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...) Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50118626 ((R)-1-((R)-4-Amino-5-methylphosphate-tetrahydro-fu...) Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/p-2/t6-,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	2.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132291 (1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	2.38E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132302 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132289 (1-((2R,5S)-4-Azido-3-hydroxy-5-iodomethyl-tetrahyd...) Show SMILES Cc1cn([C@@H]2O[C@H](CI)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)[nH]c1=O Show InChI InChI=1S/C10H12IN5O4/c1-4-3-16(10(19)13-8(4)18)9-7(17)6(14-15-12)5(2-11)20-9/h3,5-7,9,17H,2H2,1H3,(H,13,18,19)/t5-,6-,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132299 (1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tet...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5.21E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132295 (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydro...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132292 (5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.14E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50132301 (1-((2R,5R)-4-Amino-3-hydroxy-5-methyl-tetrahydro-f...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C10H15N3O4/c1-4-3-13(10(16)12-8(4)15)9-7(14)6(11)5(2)17-9/h3,5-7,9,14H,11H2,1-2H3,(H,12,15,16)/t5-,6-,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q237798X
					More data for this Ligand-Target Pair