Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50100260'   

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)	BDBM50100260 (CHEMBL293258 | Phosphoric acid mono-[3-hydroxy-5-(...) Show SMILES Cc1cn(C2CC(O)C(OP(O)(O)=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C9H13N2O8P/c1-4-3-11(9(14)10-7(4)13)6-2-5(12)8(18-6)19-20(15,16)17/h3,5-6,8,12H,2H2,1H3,(H,10,13,14)(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	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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