Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50036491'   

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 (Toxoplasma gondii)	BDBM50036491 (5-[2-(2,5-Dimethoxy-phenyl)-ethyl]-quinazoline-2,4...) Show SMILES COc1ccc(OC)c(CCc2cccc3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C18H20N4O2/c1-23-13-8-9-15(24-2)12(10-13)7-6-11-4-3-5-14-16(11)17(19)22-18(20)21-14/h3-5,8-10H,6-7H2,1-2H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
					More data for this Ligand-Target Pair