Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'holland' and Initial = 'm'   

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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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...)	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 2)	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	KEGG UniProtKB/TrEMBL 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-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL 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-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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
Androgen receptor (Homo sapiens (Human))	BDBM50073104 (CHEMBL3410856) Show SMILES Cc1c(Cl)c(ccc1N1C2CCC1CC(C)(O)C2)C#N |TLB:16:14:8:10.11,THB:15:14:8:10.11| Show InChI InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073104 (CHEMBL3410856) Show SMILES Cc1c(Cl)c(ccc1N1C2CCC1CC(C)(O)C2)C#N |TLB:16:14:8:10.11,THB:15:14:8:10.11| Show InChI InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidine kinase (Human herpesvirus 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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 2)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 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
Androgen receptor (Homo sapiens (Human))	BDBM50073109 (CHEMBL3410851) Show SMILES [H][C@]12CC[C@@]([H])(CC(C)(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@:7,TLB:8:7:11:2.3,THB:9:7:11:2.3| Show InChI InChI=1S/C16H17F3N2O/c1-15(22)7-12-4-5-13(8-15)21(12)11-3-2-10(9-20)14(6-11)16(17,18)19/h2-3,6,12-13,22H,4-5,7-8H2,1H3/t12-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair

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