Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'huteau' and Initial = 'v'   

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)	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)	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
NAD kinase (Homo sapiens (Human))	BDBM50208878 (CHEMBL3883415) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(Cl)c3)nc12 |r| Show InChI InChI=1S/C20H22ClN9O4S/c21-11-3-1-2-10(6-11)4-5-24-13(31)8-35-20-28-14-17(22)25-9-26-18(14)30(20)19-16(33)15(32)12(34-19)7-27-29-23/h1-3,6,9,12,15-16,19,32-33H,4-5,7-8H2,(H,24,31)(H2,22,25,26)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					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)	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)	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)	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)	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)	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)	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)	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
NAD kinase (Homo sapiens (Human))	BDBM50208780 (CHEMBL3884180) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCc3cccc(Br)c3)nc12 |r| Show InChI InChI=1S/C19H20BrN9O4S/c20-10-3-1-2-9(4-10)5-23-12(30)7-34-19-27-13-16(21)24-8-25-17(13)29(19)18-15(32)14(31)11(33-18)6-26-28-22/h1-4,8,11,14-15,18,31-32H,5-7H2,(H,23,30)(H2,21,24,25)/t11-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					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
NAD kinase (Homo sapiens (Human))	BDBM50208778 (CHEMBL3885397) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)nc12 |r| Show InChI InChI=1S/C22H23ClN10O4S/c23-11-1-2-13-12(5-11)10(6-27-13)3-4-26-15(34)8-38-22-31-16-19(24)28-9-29-20(16)33(22)21-18(36)17(35)14(37-21)7-30-32-25/h1-2,5-6,9,14,17-18,21,27,35-36H,3-4,7-8H2,(H,26,34)(H2,24,28,29)/t14-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					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)	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
NAD kinase (Homo sapiens (Human))	BDBM50208802 (CHEMBL3885465) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Br)cc3)nc12 |r| Show InChI InChI=1S/C20H22BrN9O4S/c21-11-3-1-10(2-4-11)5-6-24-13(31)8-35-20-28-14-17(22)25-9-26-18(14)30(20)19-16(33)15(32)12(34-19)7-27-29-23/h1-4,9,12,15-16,19,32-33H,5-8H2,(H,24,31)(H2,22,25,26)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208739 (CHEMBL3885207) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCCC(=O)NCCc3cccc(Br)c3)nc12 |r| Show InChI InChI=1S/C21H25BrN6O5S/c22-12-3-1-2-11(8-12)4-6-24-14(30)5-7-34-21-27-15-18(23)25-10-26-19(15)28(21)20-17(32)16(31)13(9-29)33-20/h1-3,8,10,13,16-17,20,29,31-32H,4-7,9H2,(H,24,30)(H2,23,25,26)/t13-,16-,17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					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 (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 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
NAD kinase (Homo sapiens (Human))	BDBM50208736 (CHEMBL3883373) Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Br)cc2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24BrN7O4S/c21-11-3-1-10(2-4-11)5-6-24-13(29)8-33-20-27-14-17(23)25-9-26-18(14)28(20)19-16(31)15(30)12(7-22)32-19/h1-4,9,12,15-16,19,30-31H,5-8,22H2,(H,24,29)(H2,23,25,26)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208741 (CHEMBL3883614) Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23Cl2N7O4S/c21-10-2-1-9(5-11(10)22)3-4-25-13(30)7-34-20-28-14-17(24)26-8-27-18(14)29(20)19-16(32)15(31)12(6-23)33-19/h1-2,5,8,12,15-16,19,31-32H,3-4,6-7,23H2,(H,25,30)(H2,24,26,27)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208805 (CHEMBL3883397) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3c[nH]c4ccccc34)nc12 |r| Show InChI InChI=1S/C22H24N10O4S/c23-19-16-20(28-10-27-19)32(21-18(35)17(34)14(36-21)8-29-31-24)22(30-16)37-9-15(33)25-6-5-11-7-26-13-4-2-1-3-12(11)13/h1-4,7,10,14,17-18,21,26,34-35H,5-6,8-9H2,(H,25,33)(H2,23,27,28)/t14-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208904 (CHEMBL3884876) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Cl)c(Cl)c3)nc12 |r| Show InChI InChI=1S/C20H21Cl2N9O4S/c21-10-2-1-9(5-11(10)22)3-4-25-13(32)7-36-20-29-14-17(23)26-8-27-18(14)31(20)19-16(34)15(33)12(35-19)6-28-30-24/h1-2,5,8,12,15-16,19,33-34H,3-4,6-7H2,(H,25,32)(H2,23,26,27)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208740 (CHEMBL3885345) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc4ccccc4c3)nc12 |r| Show InChI InChI=1S/C24H25N9O4S/c25-21-18-22(29-12-28-21)33(23-20(36)19(35)16(37-23)10-30-32-26)24(31-18)38-11-17(34)27-8-7-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,12,16,19-20,23,35-36H,7-8,10-11H2,(H,27,34)(H2,25,28,29)/t16-,19-,20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208745 (CHEMBL3884239) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCC#C)nc12 |r| Show InChI InChI=1S/C15H17N9O4S/c1-2-3-18-8(25)5-29-15-22-9-12(16)19-6-20-13(9)24(15)14-11(27)10(26)7(28-14)4-21-23-17/h1,6-7,10-11,14,26-27H,3-5H2,(H,18,25)(H2,16,19,20)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208743 (CHEMBL3884081) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCCc3ccccc3)nc12 |r| Show InChI InChI=1S/C21H25N9O4S/c22-18-15-19(26-11-25-18)30(20-17(33)16(32)13(34-20)9-27-29-23)21(28-15)35-10-14(31)24-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,11,13,16-17,20,32-33H,4,7-10H2,(H,24,31)(H2,22,25,26)/t13-,16-,17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208737 (CHEMBL3884746) Show SMILES CN(C)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H28Cl2N8O6S2/c1-31(2)40(36,37)29-8-14-17(34)18(35)21(38-14)32-20-16(19(25)27-10-28-20)30-22(32)39-9-15(33)26-6-5-11-3-4-12(23)13(24)7-11/h3-4,7,10,14,17-18,21,29,34-35H,5-6,8-9H2,1-2H3,(H,26,33)(H2,25,27,28)/t14-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208779 (CHEMBL3884775) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CSc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c2c1 |r| Show InChI InChI=1S/C23H26N10O5S/c1-37-12-2-3-14-13(6-12)11(7-27-14)4-5-26-16(34)9-39-23-31-17-20(24)28-10-29-21(17)33(23)22-19(36)18(35)15(38-22)8-30-32-25/h2-3,6-7,10,15,18-19,22,27,35-36H,4-5,8-9H2,1H3,(H,26,34)(H2,24,28,29)/t15-,18-,19-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					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
NAD kinase (Homo sapiens (Human))	BDBM50208795 (CHEMBL3885356) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22Cl2N6O4S/c1-9-15(30)16(31)19(32-9)28-18-14(17(23)25-8-26-18)27-20(28)33-7-13(29)24-5-4-10-2-3-11(21)12(22)6-10/h2-3,6,8-9,15-16,19,30-31H,4-5,7H2,1H3,(H,24,29)(H2,23,25,26)/t9-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					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
NAD kinase (Homo sapiens (Human))	BDBM50208735 (CHEMBL3884857) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(Cl)c3)nc12 |r| Show InChI InChI=1S/C20H23ClN6O5S/c21-11-3-1-2-10(6-11)4-5-23-13(29)8-33-20-26-14-17(22)24-9-25-18(14)27(20)19-16(31)15(30)12(7-28)32-19/h1-3,6,9,12,15-16,19,28,30-31H,4-5,7-8H2,(H,23,29)(H2,22,24,25)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair

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