Compile Data Set for Download or QSAR

Found 226 hits of affinity data for UniProtKB/TrEMBL: P06479   

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 (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50123605 (CHEMBL3143935) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2C1=NC(Nc1ccccc1)=NC2=O |r,c:10,24,t:14| Show InChI InChI=1S/C16H17N5O4/c22-7-11-10(23)6-12(25-11)21-8-17-13-14(21)19-16(20-15(13)24)18-9-4-2-1-3-5-9/h1-5,8,10-13,22-23H,6-7H2,(H,18,20,24)/t10-,11+,12+,13?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2				J Med Chem 33: 203-6 (1990) BindingDB Entry DOI: 10.7270/Q2B8573M
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50123608 (CHEMBL3144572) Show SMILES CCCCCCNC1=NC(=O)C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=N1 |r,c:12,25,t:7| Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-17-16-19-14-13(15(24)20-16)18-9-21(14)12-7-10(23)11(8-22)25-12/h9-13,22-23H,2-8H2,1H3,(H,17,20,24)/t10-,11+,12+,13?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of TdR phosphorylation using thymidine kinase (TK) assay for herpes simplex virus type 1 (HSV-1).				J Med Chem 33: 203-6 (1990) BindingDB Entry DOI: 10.7270/Q2B8573M
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101069 (10,10-Bis-trifluoromethyl-9,10-dihydro-anthracene-...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4C(c4ccccc34)(C(F)(F)F)C(F)(F)F)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C28H24F7N3O5/c1-2-13-12-38(25(42)37-22(13)40)24-20(29)21(39)18(43-24)11-36-23(41)19-14-7-3-5-9-16(14)26(27(30,31)32,28(33,34)35)17-10-6-4-8-15(17)19/h3-10,12,18-21,24,39H,2,11H2,1H3,(H,36,41)(H,37,40,42)/t18-,20+,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101068 (4-Chloro-10,10-dioxo-9,10-dihydro-10lambda*6*-thio...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4S(=O)(=O)c4c(Cl)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H23ClFN3O7S/c1-2-12-11-30(25(34)29-22(12)32)24-19(27)20(31)16(37-24)10-28-23(33)18-13-6-3-4-9-17(13)38(35,36)21-14(18)7-5-8-15(21)26/h3-9,11,16,18-20,24,31H,2,10H2,1H3,(H,28,33)(H,29,32,34)/t16-,18?,19+,20-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101051 (4,5-Dichloro-9H-xanthene-9-carboxylic acid [(2R,3R...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4cccc(Cl)c4Oc4c(Cl)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H22Cl2FN3O6/c1-2-11-10-31(25(35)30-22(11)33)24-18(28)19(32)16(36-24)9-29-23(34)17-12-5-3-7-14(26)20(12)37-21-13(17)6-4-8-15(21)27/h3-8,10,16-19,24,32H,2,9H2,1H3,(H,29,34)(H,30,33,35)/t16-,18+,19-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101058 (4-Phenyl-9H-xanthene-9-carboxylic acid [(2R,3R,4S,...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c3cccc4-c3ccccc3)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C31H28FN3O6/c1-2-17-16-35(31(39)34-28(17)37)30-25(32)26(36)23(41-30)15-33-29(38)24-20-11-6-7-14-22(20)40-27-19(12-8-13-21(24)27)18-9-4-3-5-10-18/h3-14,16,23-26,30,36H,2,15H2,1H3,(H,33,38)(H,34,37,39)/t23-,24?,25+,26-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101048 (4-Chloro-9H-xanthene-9-carboxylic acid [(2R,3R,4S,...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c(Cl)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H23ClFN3O6/c1-2-12-11-30(25(34)29-22(12)32)24-19(27)20(31)17(36-24)10-28-23(33)18-13-6-3-4-9-16(13)35-21-14(18)7-5-8-15(21)26/h3-9,11,17-20,24,31H,2,10H2,1H3,(H,28,33)(H,29,32,34)/t17-,18?,19+,20-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101050 (10,10-Dioxo-9,10-dihydro-10lambda*6*-thioxanthene-...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4S(=O)(=O)c4ccccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H24FN3O7S/c1-2-13-12-29(25(33)28-22(13)31)24-20(26)21(30)16(36-24)11-27-23(32)19-14-7-3-5-9-17(14)37(34,35)18-10-6-4-8-15(18)19/h3-10,12,16,19-21,24,30H,2,11H2,1H3,(H,27,32)(H,28,31,33)/t16-,20+,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101071 (10,10-Dioxo-9,10-dihydro-10lambda*6*-thioxanthene-...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4S(=O)(=O)c4ccccc34)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C25H25N3O7S/c1-2-14-13-28(25(32)27-23(14)30)21-11-17(29)18(35-21)12-26-24(31)22-15-7-3-5-9-19(15)36(33,34)20-10-6-4-8-16(20)22/h3-10,13,17-18,21-22,29H,2,11-12H2,1H3,(H,26,31)(H,27,30,32)/t17-,18+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101072 (2-(2,6-Dichloro-phenyl)-N-[(2R,3S,5R)-5-(5-ethyl-2...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3c(Cl)cccc3Cl)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C19H21Cl2N3O5/c1-2-10-9-24(19(28)23-18(10)27)17-7-14(25)15(29-17)8-22-16(26)6-11-12(20)4-3-5-13(11)21/h3-5,9,14-15,17,25H,2,6-8H2,1H3,(H,22,26)(H,23,27,28)/t14-,15+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101060 (4-Trifluoromethyl-9H-xanthene-9-carboxylic acid [(...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c3cccc4C(F)(F)F)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C26H23F4N3O6/c1-2-12-11-33(25(37)32-22(12)35)24-19(27)20(34)17(39-24)10-31-23(36)18-13-6-3-4-9-16(13)38-21-14(18)7-5-8-15(21)26(28,29)30/h3-9,11,17-20,24,34H,2,10H2,1H3,(H,31,36)(H,32,35,37)/t17-,18?,19+,20-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101049 (10,10-Dimethyl-9,10-dihydro-anthracene-9-carboxyli...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4C(C)(C)c4ccccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C28H30FN3O5/c1-4-15-14-32(27(36)31-24(15)34)26-22(29)23(33)20(37-26)13-30-25(35)21-16-9-5-7-11-18(16)28(2,3)19-12-8-6-10-17(19)21/h5-12,14,20-23,26,33H,4,13H2,1-3H3,(H,30,35)(H,31,34,36)/t20-,22+,23-,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101062 (4-Chloro-9H-thioxanthene-9-carboxylic acid [(2R,3R...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Sc4c(Cl)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H23ClFN3O5S/c1-2-12-11-30(25(34)29-22(12)32)24-19(27)20(31)16(35-24)10-28-23(33)18-13-6-3-4-9-17(13)36-21-14(18)7-5-8-15(21)26/h3-9,11,16,18-20,24,31H,2,10H2,1H3,(H,28,33)(H,29,32,34)/t16-,18?,19+,20-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101047 (4-Methyl-9H-xanthene-9-carboxylic acid [(2R,3R,4S,...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c(C)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C26H26FN3O6/c1-3-14-12-30(26(34)29-23(14)32)25-20(27)21(31)18(36-25)11-28-24(33)19-15-8-4-5-10-17(15)35-22-13(2)7-6-9-16(19)22/h4-10,12,18-21,25,31H,3,11H2,1-2H3,(H,28,33)(H,29,32,34)/t18-,19?,20+,21-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101074 (4-Methoxy-9H-xanthene-9-carboxylic acid [(2R,3R,4S...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c(OC)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C26H26FN3O7/c1-3-13-12-30(26(34)29-23(13)32)25-20(27)21(31)18(37-25)11-28-24(33)19-14-7-4-5-9-16(14)36-22-15(19)8-6-10-17(22)35-2/h4-10,12,18-21,25,31H,3,11H2,1-2H3,(H,28,33)(H,29,32,34)/t18-,19?,20+,21-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101067 ((S)-2-(2,4-Dichloro-5-methoxy-phenoxy)-N-[(2R,3R,4...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)[C@H](C)Oc3cc(OC)c(Cl)cc3Cl)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C21H24Cl2FN3O7/c1-4-10-8-27(21(31)26-19(10)30)20-16(24)17(28)15(34-20)7-25-18(29)9(2)33-14-6-13(32-3)11(22)5-12(14)23/h5-6,8-9,15-17,20,28H,4,7H2,1-3H3,(H,25,29)(H,26,30,31)/t9-,15+,16-,17+,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101045 (9H-Xanthene-9-carboxylic acid [(2R,3R,4S,5R)-5-(5-...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4ccccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H24FN3O6/c1-2-13-12-29(25(33)28-22(13)31)24-20(26)21(30)18(35-24)11-27-23(32)19-14-7-3-5-9-16(14)34-17-10-6-4-8-15(17)19/h3-10,12,18-21,24,30H,2,11H2,1H3,(H,27,32)(H,28,31,33)/t18-,20+,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101073 (4,5-Dimethyl-9H-xanthene-9-carboxylic acid [(2R,3R...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4cccc(C)c4Oc4c(C)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C27H28FN3O6/c1-4-15-12-31(27(35)30-24(15)33)26-20(28)21(32)18(36-26)11-29-25(34)19-16-9-5-7-13(2)22(16)37-23-14(3)8-6-10-17(19)23/h5-10,12,18-21,26,32H,4,11H2,1-3H3,(H,29,34)(H,30,33,35)/t18-,20+,21-,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101053 (9H-Xanthene-9-carboxylic acid [(2R,3S,5R)-5-(5-eth...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Oc4ccccc34)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C25H25N3O6/c1-2-14-13-28(25(32)27-23(14)30)21-11-17(29)20(34-21)12-26-24(31)22-15-7-3-5-9-18(15)33-19-10-6-4-8-16(19)22/h3-10,13,17,20-22,29H,2,11-12H2,1H3,(H,26,31)(H,27,30,32)/t17-,20+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101044 (9,10-Dihydro-anthracene-9-carboxylic acid [(2R,3S,...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Cc4ccccc34)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C26H27N3O5/c1-2-15-14-29(26(33)28-24(15)31)22-12-20(30)21(34-22)13-27-25(32)23-18-9-5-3-7-16(18)11-17-8-4-6-10-19(17)23/h3-10,14,20-23,30H,2,11-13H2,1H3,(H,27,32)(H,28,31,33)/t20-,21+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101043 (9H-Thioxanthene-9-carboxylic acid [(2R,3R,4S,5R)-5...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Sc4ccccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H24FN3O5S/c1-2-13-12-29(25(33)28-22(13)31)24-20(26)21(30)16(34-24)11-27-23(32)19-14-7-3-5-9-17(14)35-18-10-6-4-8-15(18)19/h3-10,12,16,19-21,24,30H,2,11H2,1H3,(H,27,32)(H,28,31,33)/t16-,20+,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101064 (9H-Thioxanthene-9-carboxylic acid [(2R,3S,5R)-5-(5...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Sc4ccccc34)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C25H25N3O5S/c1-2-14-13-28(25(32)27-23(14)30)21-11-17(29)18(33-21)12-26-24(31)22-15-7-3-5-9-19(15)34-20-10-6-4-8-16(20)22/h3-10,13,17-18,21-22,29H,2,11-12H2,1H3,(H,26,31)(H,27,30,32)/t17-,18+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101046 (10-Methyl-9,10-dihydro-acridine-9-carboxylic acid ...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4N(C)c4ccccc34)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C26H28N4O5/c1-3-15-14-30(26(34)28-24(15)32)22-12-20(31)21(35-22)13-27-25(33)23-16-8-4-6-10-18(16)29(2)19-11-7-5-9-17(19)23/h4-11,14,20-23,31H,3,12-13H2,1-2H3,(H,27,33)(H,28,32,34)/t20-,21+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101059 (9H-Fluorene-9-carboxylic acid [(2R,3S,5R)-5-(5-eth...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4-c4ccccc34)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C25H25N3O5/c1-2-14-13-28(25(32)27-23(14)30)21-11-19(29)20(33-21)12-26-24(31)22-17-9-5-3-7-15(17)16-8-4-6-10-18(16)22/h3-10,13,19-22,29H,2,11-12H2,1H3,(H,26,31)(H,27,30,32)/t19-,20+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101065 (2-(2,6-Dimethyl-phenyl)-N-[(2R,3S,5R)-5-(5-ethyl-2...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3c(C)cccc3C)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C21H27N3O5/c1-4-14-11-24(21(28)23-20(14)27)19-9-16(25)17(29-19)10-22-18(26)8-15-12(2)6-5-7-13(15)3/h5-7,11,16-17,19,25H,4,8-10H2,1-3H3,(H,22,26)(H,23,27,28)/t16-,17+,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101070 (2-(2-Chloro-phenyl)-N-[(2R,3S,5R)-5-(5-ethyl-2,4-d...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3Cl)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C19H22ClN3O5/c1-2-11-10-23(19(27)22-18(11)26)17-8-14(24)15(28-17)9-21-16(25)7-12-5-3-4-6-13(12)20/h3-6,10,14-15,17,24H,2,7-9H2,1H3,(H,21,25)(H,22,26,27)/t14-,15+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50210810 (2-(3-Trifluoromethyl-phenylamino)-1,9-dihydro-puri...) Show SMILES FC(F)(F)c1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1 Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2				J Med Chem 33: 203-6 (1990) BindingDB Entry DOI: 10.7270/Q2B8573M
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50210810 (2-(3-Trifluoromethyl-phenylamino)-1,9-dihydro-puri...) Show SMILES FC(F)(F)c1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1 Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells				J Med Chem 35: 2979-83 (1992) BindingDB Entry DOI: 10.7270/Q29G5Q2Q
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101061 (CHEMBL297987 | N-[(2R,3S,5R)-5-(5-Ethyl-2,4-dioxo-...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3C)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C20H25N3O5/c1-3-13-11-23(20(27)22-19(13)26)18-9-15(24)16(28-18)10-21-17(25)8-14-7-5-4-6-12(14)2/h4-7,11,15-16,18,24H,3,8-10H2,1-2H3,(H,21,25)(H,22,26,27)/t15-,16+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101055 (CHEMBL44996 | N-[(2R,3S,5R)-5-(5-Ethyl-2,4-dioxo-3...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3C(F)(F)F)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C20H22F3N3O5/c1-2-11-10-26(19(30)25-18(11)29)17-8-14(27)15(31-17)9-24-16(28)7-12-5-3-4-6-13(12)20(21,22)23/h3-6,10,14-15,17,27H,2,7-9H2,1H3,(H,24,28)(H,25,29,30)/t14-,15+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101056 (2-Biphenyl-2-yl-N-[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3-c3ccccc3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C25H27N3O5/c1-2-16-15-28(25(32)27-24(16)31)23-13-20(29)21(33-23)14-26-22(30)12-18-10-6-7-11-19(18)17-8-4-3-5-9-17/h3-11,15,20-21,23,29H,2,12-14H2,1H3,(H,26,30)(H,27,31,32)/t20-,21+,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101057 (10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carbox...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4CCc4ccccc34)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C27H29N3O5/c1-2-16-15-30(27(34)29-25(16)32)23-13-21(31)22(35-23)14-28-26(33)24-19-9-5-3-7-17(19)11-12-18-8-4-6-10-20(18)24/h3-10,15,21-24,31H,2,11-14H2,1H3,(H,28,33)(H,29,32,34)/t21-,22+,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101052 (CHEMBL44535 | N-[(2R,3S,5R)-5-(5-Ethyl-2,4-dioxo-3...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3OC)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C20H25N3O6/c1-3-12-11-23(20(27)22-19(12)26)18-9-14(24)16(29-18)10-21-17(25)8-13-6-4-5-7-15(13)28-2/h4-7,11,14,16,18,24H,3,8-10H2,1-2H3,(H,21,25)(H,22,26,27)/t14-,16+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50366681 (BRIVUDINE | BVDU | Bridic | Brivox | Brivudin | Br...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:12.13| Show InChI InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Binding affinity towards HSV-1 thymidine kinase				J Med Chem 39: 4727-37 (1997) Article DOI: 10.1021/jm960278v BindingDB Entry DOI: 10.7270/Q2M61KXS
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50013098 (2-(3-Chloro-phenylamino)-1,9-dihydro-purin-6-one |...) Show SMILES Clc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1 Show InChI InChI=1S/C11H8ClN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1				J Med Chem 33: 203-6 (1990) BindingDB Entry DOI: 10.7270/Q2B8573M
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50013086 (2-(4-Bromo-phenylamino)-1,9-dihydro-purin-6-one | ...) Show SMILES Brc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1 Show InChI InChI=1S/C11H8BrN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1				J Med Chem 33: 203-6 (1990) BindingDB Entry DOI: 10.7270/Q2B8573M
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101054 (CHEMBL296690 | N-[(2R,3S,5R)-5-(5-Ethyl-2,4-dioxo-...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3F)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C19H22FN3O5/c1-2-11-10-23(19(27)22-18(11)26)17-8-14(24)15(28-17)9-21-16(25)7-12-5-3-4-6-13(12)20/h3-6,10,14-15,17,24H,2,7-9H2,1H3,(H,21,25)(H,22,26,27)/t14-,15+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50229856 (CHEMBL102001) Show SMILES Oc1[nH]c(Nc2cccc(CN=[N+]=[N-])c2)nc2ncnc12 Show InChI InChI=1S/C12H10N8O/c13-20-16-5-7-2-1-3-8(4-7)17-12-18-10-9(11(21)19-12)14-6-15-10/h1-4,6H,5H2,(H3,14,15,17,18,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells				J Med Chem 35: 2979-83 (1992) BindingDB Entry DOI: 10.7270/Q29G5Q2Q
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50013086 (2-(4-Bromo-phenylamino)-1,9-dihydro-purin-6-one | ...) Show SMILES Brc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1 Show InChI InChI=1S/C11H8BrN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells				J Med Chem 35: 2979-83 (1992) BindingDB Entry DOI: 10.7270/Q29G5Q2Q
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Binding affinity towards HSV-1 thymidine kinase				J Med Chem 39: 4727-37 (1997) Article DOI: 10.1021/jm960278v BindingDB Entry DOI: 10.7270/Q2M61KXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101066 (CHEMBL43963 | N-[(2R,3S,5R)-5-(5-Ethyl-2,4-dioxo-3...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C19H23N3O5/c1-2-13-11-22(19(26)21-18(13)25)17-9-14(23)15(27-17)10-20-16(24)8-12-6-4-3-5-7-12/h3-7,11,14-15,17,23H,2,8-10H2,1H3,(H,20,24)(H,21,25,26)/t14-,15+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50229865 (CHEMBL103645) Show SMILES Oc1[nH]c(Nc2cccc(CBr)c2)nc2ncnc12 Show InChI InChI=1S/C12H10BrN5O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells				J Med Chem 35: 2979-83 (1992) BindingDB Entry DOI: 10.7270/Q29G5Q2Q
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50229854 (CHEMBL103810) Show SMILES Oc1[nH]c(Nc2cccc(I)c2)nc2ncnc12 Show InChI InChI=1S/C11H8IN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells				J Med Chem 35: 2979-83 (1992) BindingDB Entry DOI: 10.7270/Q29G5Q2Q
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50013088 (2-(3,4-Dibromo-phenylamino)-1,9-dihydro-purin-6-on...) Show SMILES Brc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Br Show InChI InChI=1S/C11H7Br2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2				J Med Chem 33: 203-6 (1990) BindingDB Entry DOI: 10.7270/Q2B8573M
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50229862 (CHEMBL101020) Show SMILES Oc1[nH]c(Nc2cccc(CCl)c2)nc2ncnc12 Show InChI InChI=1S/C12H10ClN5O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells				J Med Chem 35: 2979-83 (1992) BindingDB Entry DOI: 10.7270/Q29G5Q2Q
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50054779 (5-Furan-3-yl-1-(4-hydroxy-5-hydroxymethyl-tetrahyd...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccoc2)c(=O)[nH]c1=O Show InChI InChI=1S/C13H14N2O6/c16-5-10-9(17)3-11(21-10)15-4-8(7-1-2-20-6-7)12(18)14-13(15)19/h1-2,4,6,9-11,16-17H,3,5H2,(H,14,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Binding affinity towards HSV-1 thymidine kinase				J Med Chem 39: 4727-37 (1997) Article DOI: 10.1021/jm960278v BindingDB Entry DOI: 10.7270/Q2M61KXS
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50013098 (2-(3-Chloro-phenylamino)-1,9-dihydro-purin-6-one |...) Show SMILES Clc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1 Show InChI InChI=1S/C11H8ClN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells				J Med Chem 35: 2979-83 (1992) BindingDB Entry DOI: 10.7270/Q29G5Q2Q
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50229850 (CHEMBL406300) Show SMILES Oc1[nH]c(Nc2cccc(Br)c2)nc2ncnc12 Show InChI InChI=1S/C11H8BrN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells				J Med Chem 35: 2979-83 (1992) BindingDB Entry DOI: 10.7270/Q29G5Q2Q
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50013094 (2-Phenylamino-1,9-dihydro-purin-6-one | 2-Phenylam...) Show SMILES O=c1[nH]c(Nc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C11H9N5O/c17-10-8-9(13-6-12-8)15-11(16-10)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1				J Med Chem 33: 203-6 (1990) BindingDB Entry DOI: 10.7270/Q2B8573M
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101063 (Anthracene-9-carboxylic acid [(2R,3S,5R)-5-(5-ethy...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3c4ccccc4cc4ccccc34)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C26H25N3O5/c1-2-15-14-29(26(33)28-24(15)31)22-12-20(30)21(34-22)13-27-25(32)23-18-9-5-3-7-16(18)11-17-8-4-6-10-19(17)23/h3-11,14,20-22,30H,2,12-13H2,1H3,(H,27,32)(H,28,31,33)/t20-,21+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair

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