Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T]' and Ligand = 'BDBM50090048'   

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 [A16V,S108T] (Plasmodium falciparum)	BDBM50090048 (6-Butyl-1-(4-chloro-phenyl)-1,6-dihydro-[1,3,5]tri...) Show SMILES CCCCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:5,8| Show InChI InChI=1S/C13H18ClN5/c1-2-3-4-11-17-12(15)18-13(16)19(11)10-7-5-9(14)6-8-10/h5-8,11H,2-4H2,1H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Evaluated for inhibition constant (Ki mut) against A16V+S108T Mutant dihydrofolate reductase of Plasmodium falciparum				J Med Chem 43: 2738-44 (2000) BindingDB Entry DOI: 10.7270/Q2P55MRR
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