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 = 'BDBM50090076'   

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)	BDBM50090076 (1-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CC1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:2,5| Show InChI InChI=1S/C10H12ClN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	127	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 Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs of Plasmodium falciparum				J Med Chem 43: 2738-44 (2000) BindingDB Entry DOI: 10.7270/Q2P55MRR
					More data for this Ligand-Target Pair