Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50101064'   

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)	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...)	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