Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50223788'   

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)	BDBM50223788 (CHEMBL235687 | N-(4-(benzyloxy)phenyl)-N'-[(3'-deo...) Show SMILES Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(OCc4ccccc4)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C25H28N4O5S/c1-16-13-29(25(32)28-23(16)31)22-11-18(21(14-30)34-22)12-26-24(35)27-19-7-9-20(10-8-19)33-15-17-5-3-2-4-6-17/h2-10,13,18,21-22,30H,11-12,14-15H2,1H3,(H2,26,27,35)(H,28,31,32)/t18-,21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	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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