Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50071579'   

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
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50071579 (CHEMBL3410464) Show SMILES Nc1nc(N)c2cc(NCCn3c(nc4cc(Cl)c(Cl)cc34)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C18H14Cl2F3N7/c19-10-6-13-14(7-11(10)20)30(16(27-13)18(21,22)23)4-3-26-8-1-2-12-9(5-8)15(24)29-17(25)28-12/h1-2,5-7,26H,3-4H2,(H4,24,25,28,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	752	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Binding affinity to Leishmania major DHFR				Eur J Med Chem 92: 314-31 (2015) Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91
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