Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50138708'   

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))	BDBM50138708 (5-[3-Ethoxy-4-(3-phenyl-propoxy)-benzyl]-pyrimidin...) Show SMILES CCOc1cc(Cc2cnc(N)nc2N)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C22H26N4O2/c1-2-27-20-14-17(13-18-15-25-22(24)26-21(18)23)10-11-19(20)28-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15H,2,6,9,12-13H2,1H3,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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))	BDBM50138708 (5-[3-Ethoxy-4-(3-phenyl-propoxy)-benzyl]-pyrimidin...) Show SMILES CCOc1cc(Cc2cnc(N)nc2N)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C22H26N4O2/c1-2-27-20-14-17(13-18-15-25-22(24)26-21(18)23)10-11-19(20)28-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15H,2,6,9,12-13H2,1H3,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.6	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))	BDBM50138708 (5-[3-Ethoxy-4-(3-phenyl-propoxy)-benzyl]-pyrimidin...) Show SMILES CCOc1cc(Cc2cnc(N)nc2N)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C22H26N4O2/c1-2-27-20-14-17(13-18-15-25-22(24)26-21(18)23)10-11-19(20)28-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15H,2,6,9,12-13H2,1H3,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	374	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138708 (5-[3-Ethoxy-4-(3-phenyl-propoxy)-benzyl]-pyrimidin...) Show SMILES CCOc1cc(Cc2cnc(N)nc2N)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C22H26N4O2/c1-2-27-20-14-17(13-18-15-25-22(24)26-21(18)23)10-11-19(20)28-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15H,2,6,9,12-13H2,1H3,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	525	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