Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50074737'   

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)	BDBM50074737 (6-Thiophen-2-ylmethyl-5,6,7,8-tetrahydro-quinazoli...) Show SMILES Nc1nc(N)c2CC(Cc3cccs3)CCc2n1 Show InChI InChI=1S/C13H16N4S/c14-12-10-7-8(6-9-2-1-5-18-9)3-4-11(10)16-13(15)17-12/h1-2,5,8H,3-4,6-7H2,(H4,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	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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