Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50271532'   

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)	BDBM50271532 (5-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H...) Show SMILES NC(=O)CCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C16H18BrN3O3/c17-13-10-20(16(23)19-15(13)22)9-12-7-5-11(6-8-12)3-1-2-4-14(18)21/h5-8,10H,1-4,9H2,(H2,18,21)(H,19,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK				Bioorg Med Chem 16: 6075-85 (2008) Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0
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