Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50528956'   

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 (Cryptosporidium hominis)	BDBM50528956 (CHEMBL4449452) Show SMILES CN(C(=O)c1ccc(Cc2c[nH]c3nc(N)[nH]c(=O)c23)cc1)c1ccccc1C(O)=O Show InChI InChI=1S/C22H19N5O4/c1-27(16-5-3-2-4-15(16)21(30)31)20(29)13-8-6-12(7-9-13)10-14-11-24-18-17(14)19(28)26-22(23)25-18/h2-9,11H,10H2,1H3,(H,30,31)(H4,23,24,25,26,28)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptosporidium hominis TS-DHFR expresssed in Escherichia coli PA414 using dUMP and 5,10-methylenetetrahydrofolate as subst...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
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