Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50132290'   

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)	BDBM50132290 (CHEMBL320200 | N-[(2S,5R)-4-Hydroxy-2-hydroxymethy...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=C(N)N)[C@H]2O)c(=O)[nH]c1=O |wU:4.3,6.6,wD:9.9,14.15,(12.72,-.05,;12.72,-1.59,;11.39,-2.36,;11.39,-3.9,;10.06,-4.67,;8.66,-4.04,;7.64,-5.19,;6.1,-5.04,;5.47,-3.62,;8.41,-6.53,;7.8,-7.94,;6.26,-8.1,;5.35,-6.87,;5.63,-9.52,;9.92,-6.21,;11.07,-7.23,;12.72,-4.67,;12.72,-6.21,;14.05,-3.9,;14.05,-2.36,;15.41,-1.59,)| Show InChI InChI=1S/C11H17N5O5/c1-4-2-16(11(20)15-8(4)19)9-7(18)6(14-10(12)13)5(3-17)21-9/h2,5-7,9,17-18H,3H2,1H3,(H4,12,13,14)(H,15,19,20)/t5-,6-,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis				Bioorg Med Chem Lett 13: 3045-8 (2003) BindingDB Entry DOI: 10.7270/Q237798X
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