Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50443307'   

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 synthase (Lactobacillus casei)	BDBM50443307 (CHEMBL3088239) Show SMILES FC(F)(F)c1cccc(c1)C(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C19H9F3O4/c20-19(21,22)11-4-1-3-10(9-11)17(23)25-14-7-8-15-16-12(14)5-2-6-13(16)18(24)26-15/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
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