Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50472252'   

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 3)	BDBM50472252 (CHEMBL65278) Show SMILES Nc1cc2n(CCOCP(O)(O)=O)cnc2c(O)n1 Show InChI InChI=1S/C9H13N4O5P/c10-7-3-6-8(9(14)12-7)11-4-13(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H3,10,12,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.76E+3	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)	BDBM50472252 (CHEMBL65278) Show SMILES Nc1cc2n(CCOCP(O)(O)=O)cnc2c(O)n1 Show InChI InChI=1S/C9H13N4O5P/c10-7-3-6-8(9(14)12-7)11-4-13(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H3,10,12,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.56E+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+) 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...)	BDBM50472252 (CHEMBL65278) Show SMILES Nc1cc2n(CCOCP(O)(O)=O)cnc2c(O)n1 Show InChI InChI=1S/C9H13N4O5P/c10-7-3-6-8(9(14)12-7)11-4-13(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H3,10,12,14)(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.93E+3	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
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50472252 (CHEMBL65278) Show SMILES Nc1cc2n(CCOCP(O)(O)=O)cnc2c(O)n1 Show InChI InChI=1S/C9H13N4O5P/c10-7-3-6-8(9(14)12-7)11-4-13(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H3,10,12,14)(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.42E+4	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)	BDBM50472252 (CHEMBL65278) Show SMILES Nc1cc2n(CCOCP(O)(O)=O)cnc2c(O)n1 Show InChI InChI=1S/C9H13N4O5P/c10-7-3-6-8(9(14)12-7)11-4-13(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H3,10,12,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.55E+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+) 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)	BDBM50472252 (CHEMBL65278) Show SMILES Nc1cc2n(CCOCP(O)(O)=O)cnc2c(O)n1 Show InChI InChI=1S/C9H13N4O5P/c10-7-3-6-8(9(14)12-7)11-4-13(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H3,10,12,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.22E+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