Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' and Ligand = 'BDBM50317618'   

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))	BDBM50317618 (3'-(4-(2-Phenyl-ethyl)-1,2,3-triazole-1-yl)-2'-deo...) Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCc3ccccc3)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C20H23N5O4/c1-13-10-24(20(28)21-19(13)27)18-9-16(17(12-26)29-18)25-11-15(22-23-25)8-7-14-5-3-2-4-6-14/h2-6,10-11,16-18,26H,7-9,12H2,1H3,(H,21,27,28)/t16-,17+,18+/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	6.00E+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
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