Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50074736'   

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)	BDBM50074736 (6-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-quinazo...) Show SMILES Nc1nc(N)c2CC(Cc3ccc(Cl)c(Cl)c3)CCc2n1 Show InChI InChI=1S/C15H16Cl2N4/c16-11-3-1-9(7-12(11)17)5-8-2-4-13-10(6-8)14(18)21-15(19)20-13/h1,3,7-8H,2,4-6H2,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
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