Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50472243'   

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...)	BDBM50472243 (CHEMBL64241) Show SMILES CCOP(O)(=O)COCCn1cnc2c(N)nc(N)nc12 Show InChI InChI=1S/C10H17N6O4P/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.32E+5	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strain				J Med Chem 42: 2064-86 (1999) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 3)	BDBM50472243 (CHEMBL64241) Show SMILES CCOP(O)(=O)COCCn1cnc2c(N)nc(N)nc12 Show InChI InChI=1S/C10H17N6O4P/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.32E+3	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK-) 07/1 strain				J Med Chem 42: 2064-86 (1999) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 3)	BDBM50472243 (CHEMBL64241) Show SMILES CCOP(O)(=O)COCCn1cnc2c(N)nc(N)nc12 Show InChI InChI=1S/C10H17N6O4P/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain				J Med Chem 42: 2064-86 (1999) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 3)	BDBM50472243 (CHEMBL64241) Show SMILES CCOP(O)(=O)COCCn1cnc2c(N)nc(N)nc12 Show InChI InChI=1S/C10H17N6O4P/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain				J Med Chem 42: 2064-86 (1999) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 3)	BDBM50472243 (CHEMBL64241) Show SMILES CCOP(O)(=O)COCCn1cnc2c(N)nc(N)nc12 Show InChI InChI=1S/C10H17N6O4P/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain				J Med Chem 42: 2064-86 (1999) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50472243 (CHEMBL64241) Show SMILES CCOP(O)(=O)COCCn1cnc2c(N)nc(N)nc12 Show InChI InChI=1S/C10H17N6O4P/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.74E+5	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strain				J Med Chem 42: 2064-86 (1999) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6
					More data for this Ligand-Target Pair