Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50223821'   

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)	BDBM50223821 (CHEMBL235304 | N-[(thymin-1-yl)methoxyethyl]-N'-ph...) Show SMILES Cc1cn(COCCNC(=S)Nc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C15H18N4O3S/c1-11-9-19(15(21)18-13(11)20)10-22-8-7-16-14(23)17-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H2,16,17,23)(H,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.60E+5	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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