Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50101061'   

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)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	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...)	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