Found 16 hits in this display 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)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38.2 | 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)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 520 | 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)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.36E+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)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.63E+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 | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition against dihydrofolate reductase enzyme of Escherichia coli |
J Med Chem 23: 535-41 (1980)
BindingDB Entry DOI: 10.7270/Q2TX3GJG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago 60612
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase. |
J Med Chem 39: 4825-32 (1996)
Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium berghei (strain Anka)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its inhibition against dihydrofolate reductase enzyme of Plasmodium berghei |
J Med Chem 23: 535-41 (1980)
BindingDB Entry DOI: 10.7270/Q2TX3GJG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFR, relative to trim... |
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)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >730 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR, relative to trimethoprim |
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)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR, relative to trimethoprim |
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)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR, relative to trimethoprim |
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)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type 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)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (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)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (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)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (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 | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition against dihydrofolate reductase enzyme of rat liver |
J Med Chem 23: 535-41 (1980)
BindingDB Entry DOI: 10.7270/Q2TX3GJG |
More data for this Ligand-Target Pair | |