Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' and Ligand = 'BDBM50282072'   

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))	BDBM50282072 (1-((2R,4S,5S)-4-Hydroxy-5-phenethyloxy-tetrahydro-...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](OCCc3ccccc3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H20N2O5/c1-11-10-19(17(22)18-15(11)21)14-9-13(20)16(24-14)23-8-7-12-5-3-2-4-6-12/h2-6,10,13-14,16,20H,7-9H2,1H3,(H,18,21,22)/t13-,14+,16-/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	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against HSV-1 Thymidine kinase				Bioorg Med Chem Lett 3: 1571-1576 (1993) Article DOI: 10.1016/S0960-894X(00)80020-7 BindingDB Entry DOI: 10.7270/Q28P60F3
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50282072 (1-((2R,4S,5S)-4-Hydroxy-5-phenethyloxy-tetrahydro-...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](OCCc3ccccc3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H20N2O5/c1-11-10-19(17(22)18-15(11)21)14-9-13(20)16(24-14)23-8-7-12-5-3-2-4-6-12/h2-6,10,13-14,16,20H,7-9H2,1H3,(H,18,21,22)/t13-,14+,16-/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	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HSV-1 Thymidine kinase				Bioorg Med Chem Lett 3: 1571-1576 (1993) Article DOI: 10.1016/S0960-894X(00)80020-7 BindingDB Entry DOI: 10.7270/Q28P60F3
					More data for this Ligand-Target Pair