Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50013589   

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
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118490 (1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...) Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132253 (5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...) Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132251 (1-(4-Dibenzylamino-but-2-enyl)-5-methyl-1H-pyrimid...) Show SMILES Cc1cn(C\C=C/CN(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H25N3O2/c1-19-16-26(23(28)24-22(19)27)15-9-8-14-25(17-20-10-4-2-5-11-20)18-21-12-6-3-7-13-21/h2-13,16H,14-15,17-18H2,1H3,(H,24,27,28)/b9-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 1				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132252 (2-Biphenyl-4-yl-N-[4-(5-methyl-2,4-dioxo-3,4-dihyd...) Show SMILES Cc1cn(C\C=C/CNC(=O)Cc2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H23N3O3/c1-17-16-26(23(29)25-22(17)28)14-6-5-13-24-21(27)15-18-9-11-20(12-10-18)19-7-3-2-4-8-19/h2-12,16H,13-15H2,1H3,(H,24,27)(H,25,28,29)/b6-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132249 (2-(4-Chloro-phenyl)-N-[4-(5-methyl-2,4-dioxo-3,4-d...) Show SMILES Cc1cn(C\C=C/CNC(=O)Cc2ccc(Cl)cc2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H18ClN3O3/c1-12-11-21(17(24)20-16(12)23)9-3-2-8-19-15(22)10-13-4-6-14(18)7-5-13/h2-7,11H,8-10H2,1H3,(H,19,22)(H,20,23,24)/b3-2-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132253 (5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...) Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132256 (CHEMBL102986 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...) Show SMILES Cc1cn(C\C=C/CNC(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H23N3O3/c1-17-16-26(23(29)25-21(17)27)15-9-8-14-24-22(28)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-13,16,20H,14-15H2,1H3,(H,24,28)(H,25,27,29)/b9-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132255 (CHEMBL431234 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...) Show SMILES Cc1cn(C\C=C/CNC(=O)c2cccc(c2)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C17H16F3N3O3/c1-11-10-23(16(26)22-14(11)24)8-3-2-7-21-15(25)12-5-4-6-13(9-12)17(18,19)20/h2-6,9-10H,7-8H2,1H3,(H,21,25)(H,22,24,26)/b3-2-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132250 (9H-Xanthene-9-carboxylic acid [4-(5-methyl-2,4-dio...) Show SMILES Cc1cn(C\C=C/CNC(=O)C2c3ccccc3Oc3ccccc23)c(=O)[nH]c1=O Show InChI InChI=1S/C23H21N3O4/c1-15-14-26(23(29)25-21(15)27)13-7-6-12-24-22(28)20-16-8-2-4-10-18(16)30-19-11-5-3-9-17(19)20/h2-11,14,20H,12-13H2,1H3,(H,24,28)(H,25,27,29)/b7-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118490 (1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...) Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132257 (1-(4-Benzylamino-but-2-enyl)-5-methyl-1H-pyrimidin...) Show SMILES Cc1cn(C\C=C/CNCc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C16H19N3O2/c1-13-12-19(16(21)18-15(13)20)10-6-5-9-17-11-14-7-3-2-4-8-14/h2-8,12,17H,9-11H2,1H3,(H,18,20,21)/b6-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132255 (CHEMBL431234 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...) Show SMILES Cc1cn(C\C=C/CNC(=O)c2cccc(c2)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C17H16F3N3O3/c1-11-10-23(16(26)22-14(11)24)8-3-2-7-21-15(25)12-5-4-6-13(9-12)17(18,19)20/h2-6,9-10H,7-8H2,1H3,(H,21,25)(H,22,24,26)/b3-2-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132256 (CHEMBL102986 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...) Show SMILES Cc1cn(C\C=C/CNC(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H23N3O3/c1-17-16-26(23(29)25-21(17)27)15-9-8-14-24-22(28)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-13,16,20H,14-15H2,1H3,(H,24,28)(H,25,27,29)/b9-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 1				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132252 (2-Biphenyl-4-yl-N-[4-(5-methyl-2,4-dioxo-3,4-dihyd...) Show SMILES Cc1cn(C\C=C/CNC(=O)Cc2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H23N3O3/c1-17-16-26(23(29)25-22(17)28)14-6-5-13-24-21(27)15-18-9-11-20(12-10-18)19-7-3-2-4-8-19/h2-12,16H,13-15H2,1H3,(H,24,27)(H,25,28,29)/b6-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132250 (9H-Xanthene-9-carboxylic acid [4-(5-methyl-2,4-dio...) Show SMILES Cc1cn(C\C=C/CNC(=O)C2c3ccccc3Oc3ccccc23)c(=O)[nH]c1=O Show InChI InChI=1S/C23H21N3O4/c1-15-14-26(23(29)25-21(15)27)13-7-6-12-24-22(28)20-16-8-2-4-10-18(16)30-19-11-5-3-9-17(19)20/h2-11,14,20H,12-13H2,1H3,(H,24,28)(H,25,27,29)/b7-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132258 (1-[4-(4-Benzyl-piperazin-1-yl)-but-2-enyl]-5-methy...) Show SMILES Cc1cn(C\C=C/CN2CCN(Cc3ccccc3)CC2)c(=O)[nH]c1=O Show InChI InChI=1S/C20H26N4O2/c1-17-15-24(20(26)21-19(17)25)10-6-5-9-22-11-13-23(14-12-22)16-18-7-3-2-4-8-18/h2-8,15H,9-14,16H2,1H3,(H,21,25,26)/b6-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132249 (2-(4-Chloro-phenyl)-N-[4-(5-methyl-2,4-dioxo-3,4-d...) Show SMILES Cc1cn(C\C=C/CNC(=O)Cc2ccc(Cl)cc2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H18ClN3O3/c1-12-11-21(17(24)20-16(12)23)9-3-2-8-19-15(22)10-13-4-6-14(18)7-5-13/h2-7,11H,8-10H2,1H3,(H,19,22)(H,20,23,24)/b3-2-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132254 (5-Methyl-1-[4-(4-methyl-piperazin-1-yl)-but-2-enyl...) Show SMILES CN1CCN(C\C=C/Cn2cc(C)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C14H22N4O2/c1-12-11-18(14(20)15-13(12)19)6-4-3-5-17-9-7-16(2)8-10-17/h3-4,11H,5-10H2,1-2H3,(H,15,19,20)/b4-3-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132258 (1-[4-(4-Benzyl-piperazin-1-yl)-but-2-enyl]-5-methy...) Show SMILES Cc1cn(C\C=C/CN2CCN(Cc3ccccc3)CC2)c(=O)[nH]c1=O Show InChI InChI=1S/C20H26N4O2/c1-17-15-24(20(26)21-19(17)25)10-6-5-9-22-11-13-23(14-12-22)16-18-7-3-2-4-8-18/h2-8,15H,9-14,16H2,1H3,(H,21,25,26)/b6-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132251 (1-(4-Dibenzylamino-but-2-enyl)-5-methyl-1H-pyrimid...) Show SMILES Cc1cn(C\C=C/CN(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H25N3O2/c1-19-16-26(23(28)24-22(19)27)15-9-8-14-25(17-20-10-4-2-5-11-20)18-21-12-6-3-7-13-21/h2-13,16H,14-15,17-18H2,1H3,(H,24,27,28)/b9-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 1				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132254 (5-Methyl-1-[4-(4-methyl-piperazin-1-yl)-but-2-enyl...) Show SMILES CN1CCN(C\C=C/Cn2cc(C)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C14H22N4O2/c1-12-11-18(14(20)15-13(12)19)6-4-3-5-17-9-7-16(2)8-10-17/h3-4,11H,5-10H2,1-2H3,(H,15,19,20)/b4-3-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132252 (2-Biphenyl-4-yl-N-[4-(5-methyl-2,4-dioxo-3,4-dihyd...) Show SMILES Cc1cn(C\C=C/CNC(=O)Cc2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H23N3O3/c1-17-16-26(23(29)25-22(17)28)14-6-5-13-24-21(27)15-18-9-11-20(12-10-18)19-7-3-2-4-8-19/h2-12,16H,13-15H2,1H3,(H,24,27)(H,25,28,29)/b6-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 1				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132253 (5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...) Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132257 (1-(4-Benzylamino-but-2-enyl)-5-methyl-1H-pyrimidin...) Show SMILES Cc1cn(C\C=C/CNCc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C16H19N3O2/c1-13-12-19(16(21)18-15(13)20)10-6-5-9-17-11-14-7-3-2-4-8-14/h2-8,12,17H,9-11H2,1H3,(H,18,20,21)/b6-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118490 (1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...) Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132251 (1-(4-Dibenzylamino-but-2-enyl)-5-methyl-1H-pyrimid...) Show SMILES Cc1cn(C\C=C/CN(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H25N3O2/c1-19-16-26(23(28)24-22(19)27)15-9-8-14-25(17-20-10-4-2-5-11-20)18-21-12-6-3-7-13-21/h2-13,16H,14-15,17-18H2,1H3,(H,24,27,28)/b9-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair