Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50359623'   

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)	BDBM50359623 (CHEMBL1928433) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNc3nnnn3-c3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C18H17ClF3N7O4/c1-8-7-28(17(32)24-15(8)31)14-5-12(30)13(33-14)6-23-16-25-26-27-29(16)9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,30H,5-6H2,1H3,(H,23,25,27)(H,24,31,32)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+4	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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