Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' and Ligand = 'BDBM50317619'   

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, cytosolic (Homo sapiens (Human))	BDBM50317619 (3'-(4-Pentyl-1,2,3-triazol-1-yl)-3'-deoxythymidine...) Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCCCl)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C15H20ClN5O4/c1-9-6-20(15(24)17-14(9)23)13-5-11(12(8-22)25-13)21-7-10(18-19-21)3-2-4-16/h6-7,11-13,22H,2-5,8H2,1H3,(H,17,23,24)/t11-,12+,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swedish University Agricultural Sciences Curated by ChEMBL					Assay Description Inhibition of human TK1 by liquid scintillation counting				Bioorg Med Chem 18: 3261-9 (2010) Article DOI: 10.1016/j.bmc.2010.03.023 BindingDB Entry DOI: 10.7270/Q2QN66Z0
					More data for this Ligand-Target Pair