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SMILES: CCCCCOc1ccc(Cc2cnc(N)nc2N)cc1OCC

InChI Key: InChIKey=HXXIBONKYAMLRF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50138697   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50138697 (5-(3-Ethoxy-4-pentyloxy-benzyl)-pyrimidine-2,4-dia...) Show SMILES CCCCCOc1ccc(Cc2cnc(N)nc2N)cc1OCC Show InChI InChI=1S/C18H26N4O2/c1-3-5-6-9-24-15-8-7-13(11-16(15)23-4-2)10-14-12-21-18(20)22-17(14)19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138697 (5-(3-Ethoxy-4-pentyloxy-benzyl)-pyrimidine-2,4-dia...) Show SMILES CCCCCOc1ccc(Cc2cnc(N)nc2N)cc1OCC Show InChI InChI=1S/C18H26N4O2/c1-3-5-6-9-24-15-8-7-13(11-16(15)23-4-2)10-14-12-21-18(20)22-17(14)19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46.6	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))	BDBM50138697 (5-(3-Ethoxy-4-pentyloxy-benzyl)-pyrimidine-2,4-dia...) Show SMILES CCCCCOc1ccc(Cc2cnc(N)nc2N)cc1OCC Show InChI InChI=1S/C18H26N4O2/c1-3-5-6-9-24-15-8-7-13(11-16(15)23-4-2)10-14-12-21-18(20)22-17(14)19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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))	BDBM50138697 (5-(3-Ethoxy-4-pentyloxy-benzyl)-pyrimidine-2,4-dia...) Show SMILES CCCCCOc1ccc(Cc2cnc(N)nc2N)cc1OCC Show InChI InChI=1S/C18H26N4O2/c1-3-5-6-9-24-15-8-7-13(11-16(15)23-4-2)10-14-12-21-18(20)22-17(14)19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	902	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