Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50138698'   

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 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138698 (5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...) Show SMILES CCCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1 Show InChI InChI=1S/C18H26N4O/c1-2-3-4-5-6-11-23-16-9-7-14(8-10-16)12-15-13-21-18(20)22-17(15)19/h7-10,13H,2-6,11-12H2,1H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.8	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 Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138698 (5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...) Show SMILES CCCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1 Show InChI InChI=1S/C18H26N4O/c1-2-3-4-5-6-11-23-16-9-7-14(8-10-16)12-15-13-21-18(20)22-17(15)19/h7-10,13H,2-6,11-12H2,1H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	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 Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138698 (5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...) Show SMILES CCCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1 Show InChI InChI=1S/C18H26N4O/c1-2-3-4-5-6-11-23-16-9-7-14(8-10-16)12-15-13-21-18(20)22-17(15)19/h7-10,13H,2-6,11-12H2,1H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38E+3	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 Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR)				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138698 (5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...) Show SMILES CCCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1 Show InChI InChI=1S/C18H26N4O/c1-2-3-4-5-6-11-23-16-9-7-14(8-10-16)12-15-13-21-18(20)22-17(15)19/h7-10,13H,2-6,11-12H2,1H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.21E+3	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 Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR)				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair