Found 9 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)) | BDBM50110772
(5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine...)Show InChI InChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | 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 Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50110772
(5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine...)Show InChI InChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Inhibition constant against Plasmodium falciparum dihydrofolate reductase |
J Med Chem 47: 4258-67 (2004)
Checked by Author Article DOI: 10.1021/jm040769c BindingDB Entry DOI: 10.7270/Q2HH6JKZ |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50110772
(5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine...)Show InChI InChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.700 | 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 Inhibition of the wild-type dihydrofolate reductase (DHFR) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50110772
(5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine...)Show InChI InChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 13.9 | 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 Inhibition of the S108N mutant of dihydrofolate reductase (DHFR) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50110772
(5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine...)Show InChI InChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15.1 | 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 Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50110772
(5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine...)Show InChI InChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 23.3 | 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 Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50110772
(5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine...)Show InChI InChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 63 | 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 Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50110772
(5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine...)Show InChI InChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 170 | 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 Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50110772
(5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine...)Show InChI InChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.06E+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 Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this Ligand-Target Pair | |