Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'douguet' and Initial = 'd'   

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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	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 SMILES OC(=O)CCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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)	BDBM50164412 (4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl...) Show SMILES OC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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)	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	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 SMILES OC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					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 SMILES Cc1cn(Cc2ccc(CCCC(O)=O)cc2)c(=O)[nH]c1=O 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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 SMILES OC(=O)CCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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)	BDBM50164421 (4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H -pyrimidin...) Show SMILES Cc1cn(Cc2ccc(CCCC(O)=O)cc2)c(=O)[nH]c1=O 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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 SMILES Cc1cn(Cc2ccc(CCCCCC(N)=O)cc2)c(=O)[nH]c1=O 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	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)	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 Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50164414 (6-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2...) Show SMILES Cc1cn(Cc2ccc(CCCCCC(O)=O)cc2)c(=O)[nH]c1=O 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	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					More data for this Ligand-Target Pair
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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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 SMILES NC(=O)CCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 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 KEGG 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 SMILES Cc1cn(Cc2ccc(Br)cc2)c(=O)[nH]c1=O 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 KEGG 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)	BDBM50164420 (1-(4-Bromo-benzyl)-5-methyl-1H-pyrimidine-2,4-dion...) Show SMILES Cc1cn(Cc2ccc(Br)cc2)c(=O)[nH]c1=O 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 KEGG 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
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					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 SMILES OC(=O)CCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 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 KEGG 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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)	BDBM50271490 (4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H -pyrimidin-1-y...) Show SMILES NC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 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 KEGG 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)	BDBM50271491 (4-(5-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-y...) Show SMILES NC(=O)CCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 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 KEGG 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)	BDBM50164422 (1-Benzyl-5-bromo-1H-pyrimidine-2,4-dione | CHEMBL1...) Show SMILES Brc1cn(Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H9BrN2O2/c12-9-7-14(11(16)13-10(9)15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50164416 (1-(3-Chloro-benzyl)-5-methyl-1H-pyrimidine-2,4-dio...) Show SMILES Cc1cn(Cc2cccc(Cl)c2)c(=O)[nH]c1=O Show InChI InChI=1S/C12H11ClN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-3-2-4-10(13)5-9/h2-6H,7H2,1H3,(H,14,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50164418 (1-(4-Fluoro-benzyl)-5-methyl-1H-pyrimidine-2,4-dio...) Show SMILES Cc1cn(Cc2ccc(F)cc2)c(=O)[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					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 SMILES Cc1cn(Cc2ccc(CCCCCC(O)=O)cc2)c(=O)[nH]c1=O 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)	BDBM50164408 (1-(4-Chloro-benzyl)-5-methyl-1H-pyrimidine-2,4-dio...) Show SMILES Cc1cn(Cc2ccc(Cl)cc2)c(=O)[nH]c1=O Show InChI InChI=1S/C12H11ClN2O2/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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50271446 (1-(4-(4-hydroxybutyl)benzyl)-5-methylpyrimidine-2,...) Show SMILES Cc1cn(Cc2ccc(CCCCO)cc2)c(=O)[nH]c1=O 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 SMILES COC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 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 SMILES Cc1cn(Cc2ccc(CCC(O)=O)cc2)c(=O)[nH]c1=O 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 SMILES Cc1cn(Cc2ccc(CCCCC(N)=O)cc2)c(=O)[nH]c1=O 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 SMILES Cc1cn(Cc2ccc(CCCCC(O)=O)cc2)c(=O)[nH]c1=O 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 SMILES COC(=O)CCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 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)	BDBM50164409 (1-(3,4-Difluoro-benzyl)-5-methyl-1H-pyrimidine-2,4...) Show SMILES Cc1cn(Cc2ccc(F)c(F)c2)c(=O)[nH]c1=O Show InChI InChI=1S/C12H10F2N2O2/c1-7-5-16(12(18)15-11(7)17)6-8-2-3-9(13)10(14)4-8/h2-5H,6H2,1H3,(H,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					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 SMILES Cc1cn(Cc2ccc(CCC(O)=O)cc2)c(=O)[nH]c1=O 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	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50271445 (1-[4-(4-Hydroxy-butyn-1-yl)-benzyl]-5-methyl-1Hpyr...) Show SMILES Cc1cn(Cc2ccc(cc2)C#CCCO)c(=O)[nH]c1=O 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)	BDBM50164410 (1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione | CHEMBL...) Show SMILES Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C12H12N2O2/c1-9-7-14(12(16)13-11(9)15)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					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 SMILES Cc1cn(Cc2ccc(CCC(N)=O)cc2)c(=O)[nH]c1=O 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 (Mycobacterium tuberculosis)	BDBM50164419 (1-(3-Fluoro-benzyl)-5-methyl-1H-pyrimidine-2,4-dio...) Show SMILES Cc1cn(Cc2cccc(F)c2)c(=O)[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-3-2-4-10(13)5-9/h2-6H,7H2,1H3,(H,14,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					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)	BDBM50164407 (3-(4-(thymin-1-ylmethyl)phenyl)propionamide | 3-[4...) Show SMILES Cc1cn(Cc2ccc(CCC(N)=O)cc2)c(=O)[nH]c1=O 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	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					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 SMILES Cc1cn(Cc2ccc(CCCC(N)=O)cc2)c(=O)[nH]c1=O 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 SMILES OC(=O)CCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 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 SMILES OC(=O)CCCc1ccc(Cn2ccc(=O)[nH]c2=O)cc1 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

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