Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50100259'   

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)	BDBM50100259 (2-Amino-5-{[(2,5-dimethoxy-phenyl)-methyl-amino]-m...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C16H19N5O3/c1-21(11-6-10(23-2)4-5-12(11)24-3)8-9-7-18-14-13(9)15(22)20-16(17)19-14/h4-7H,8H2,1-3H3,(H4,17,18,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N
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