Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50101072'   

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...)	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 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