Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50359621'   

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)	BDBM50359621 (CHEMBL1928431) Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2nnnc2NCc2ccccc2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C18H21N7O4/c1-11-9-24(18(28)20-16(11)27)15-7-13(14(10-26)29-15)25-17(21-22-23-25)19-8-12-5-3-2-4-6-12/h2-6,9,13-15,26H,7-8,10H2,1H3,(H,19,21,23)(H,20,27,28)/t13-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis				Bioorg Med Chem 19: 7603-11 (2011) Article DOI: 10.1016/j.bmc.2011.10.021 BindingDB Entry DOI: 10.7270/Q2JH3MMD
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