Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' and Ligand = 'BDBM50317622'   

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))	BDBM50317622 (3'-(4-(3-Chloro-propyl)-1,2,3-triazol-1-yl)-3'-deo...) Show SMILES CCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C15H21N5O4/c1-3-4-10-7-20(18-17-10)11-5-13(24-12(11)8-21)19-6-9(2)14(22)16-15(19)23/h6-7,11-13,21H,3-5,8H2,1-2H3,(H,16,22,23)/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	1.05E+5	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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