Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50203244'   

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)	BDBM50203244 (CHEMBL3962899) Show SMILES Nc1nc2[nH]c(cc2c(=O)[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C12H9ClN4O/c13-7-3-1-2-6(4-7)9-5-8-10(15-9)16-12(14)17-11(8)18/h1-5H,(H4,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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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