Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50223798'   

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
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50223798 (CHEMBL391451 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)...) Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C18H18ClF3N4O5/c1-8-7-26(17(30)25-15(8)28)14-5-12(27)13(31-14)6-23-16(29)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,29)(H,25,28,30)/t12-,13+,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Gent Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay				J Med Chem 50: 5281-92 (2007) Article DOI: 10.1021/jm0706158 BindingDB Entry DOI: 10.7270/Q2QJ7H1Z
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