Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50203225'   

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)	BDBM50203225 (CHEMBL3930739) Show SMILES Nc1ncc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(N)n1 Show InChI InChI=1S/C16H19F3N6/c17-16(18,19)12-2-1-3-13(8-12)25-6-4-24(5-7-25)10-11-9-22-15(21)23-14(11)20/h1-3,8-9H,4-7,10H2,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Turing Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 preincubated for 15 mins followed by addition of DHF as substrate and NADP...				ACS Med Chem Lett 7: 1124-1129 (2016) Article DOI: 10.1021/acsmedchemlett.6b00328 BindingDB Entry DOI: 10.7270/Q2Z60R1X
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