Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50138695'   

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))	BDBM50138695 (6-Ethyl-5-[3-propoxy-4-(3,4,5-trimethoxy-benzyloxy...) Show SMILES CCCOc1cc(Cc2c(N)nc(N)nc2CC)ccc1OCc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C26H34N4O5/c1-6-10-34-21-12-16(11-18-19(7-2)29-26(28)30-25(18)27)8-9-20(21)35-15-17-13-22(31-3)24(33-5)23(14-17)32-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H4,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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))	BDBM50138695 (6-Ethyl-5-[3-propoxy-4-(3,4,5-trimethoxy-benzyloxy...) Show SMILES CCCOc1cc(Cc2c(N)nc(N)nc2CC)ccc1OCc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C26H34N4O5/c1-6-10-34-21-12-16(11-18-19(7-2)29-26(28)30-25(18)27)8-9-20(21)35-15-17-13-22(31-3)24(33-5)23(14-17)32-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H4,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48.7	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))	BDBM50138695 (6-Ethyl-5-[3-propoxy-4-(3,4,5-trimethoxy-benzyloxy...) Show SMILES CCCOc1cc(Cc2c(N)nc(N)nc2CC)ccc1OCc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C26H34N4O5/c1-6-10-34-21-12-16(11-18-19(7-2)29-26(28)30-25(18)27)8-9-20(21)35-15-17-13-22(31-3)24(33-5)23(14-17)32-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H4,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	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))	BDBM50138695 (6-Ethyl-5-[3-propoxy-4-(3,4,5-trimethoxy-benzyloxy...) Show SMILES CCCOc1cc(Cc2c(N)nc(N)nc2CC)ccc1OCc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C26H34N4O5/c1-6-10-34-21-12-16(11-18-19(7-2)29-26(28)30-25(18)27)8-9-20(21)35-15-17-13-22(31-3)24(33-5)23(14-17)32-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H4,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	693	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