Found 54 hits of ki for monomerid = 18069 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 |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| 0.00600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutical Research and Development, LLC
Curated by ChEMBL
| Assay Description Binding affinity to DHFR (unknown origin) by NMR analysis |
J Med Chem 57: 7819-37 (2014)
Article DOI: 10.1021/jm500325k BindingDB Entry DOI: 10.7270/Q2JW8GH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
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| Article PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of recombinant Escherichia coli DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dihydrof... |
ACS Med Chem Lett 7: 692-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00120 BindingDB Entry DOI: 10.7270/Q2DJ5HKK |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc.
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... |
J Med Chem 57: 651-68 (2014)
Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 1.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, San Diego, CA 92121, United States.
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a... |
Bioorg Med Chem Lett 21: 5171-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.059 BindingDB Entry DOI: 10.7270/Q27H1JZH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells |
J Med Chem 25: 777-84 (1982)
BindingDB Entry DOI: 10.7270/Q2WH2S6T |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Medical University
Curated by ChEMBL
| Assay Description Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase |
J Med Chem 31: 366-70 (1988)
BindingDB Entry DOI: 10.7270/Q2BV7JTC |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description Apparent binding affinity against Dihydrofolate reductase in Escherichia coli |
J Med Chem 32: 1942-9 (1989)
Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0 |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli |
J Med Chem 24: 538-44 (1981)
BindingDB Entry DOI: 10.7270/Q2GF0WQM |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 1949-58 (1989)
BindingDB Entry DOI: 10.7270/Q2DF6Q6G |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
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| 1.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uniroyal Chemical Co., Inc.
Curated by ChEMBL
| Assay Description Inhibition constant against binding of Escherichia coli dihydrofolate reductase |
J Med Chem 31: 1396-406 (1988)
BindingDB Entry DOI: 10.7270/Q2P55QQJ |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
KEGG
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| PDB Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
| Assay Description Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). |
Chem Biol 11: 1423-30 (2004)
Article DOI: 10.1016/j.chembiol.2004.08.014 BindingDB Entry DOI: 10.7270/Q2639N6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688 BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of recombinant Staphylococcus aureus DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dih... |
ACS Med Chem Lett 7: 692-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00120 BindingDB Entry DOI: 10.7270/Q2DJ5HKK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductase |
Bioorg Med Chem Lett 13: 2493-6 (2003)
BindingDB Entry DOI: 10.7270/Q2CN74G5 |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oklahoma State University
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay |
Antimicrob Agents Chemother 54: 3825-33 (2010)
Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
KEGG
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| PDB PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description Antibacterial activity against Staphylococcus aureus |
J Med Chem 32: 1949-58 (1989)
BindingDB Entry DOI: 10.7270/Q2DF6Q6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Salmonella enterica subsp. enterica serovar Typhi) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB
UniProtKB/TrEMBL
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| PDB PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of recombinant Dihydrofolate reductase from humans. |
J Med Chem 42: 4300-12 (1999)
BindingDB Entry DOI: 10.7270/Q21R6PQG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| PDB Article PubMed
| 10.3 | 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 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 | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| PDB PubMed
| 10.3 | 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 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 | 3D Structure (crystal) |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| 40 | -42.9 | 600 | n/a | n/a | n/a | n/a | 7.0 | 30 |
ARPIDA AG
| Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba... |
Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006)
BindingDB Entry DOI: 10.7270/Q2959FTP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | KEGG
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| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major. |
J Med Chem 42: 4300-12 (1999)
BindingDB Entry DOI: 10.7270/Q21R6PQG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase |
J Med Chem 32: 1895-905 (1989)
BindingDB Entry DOI: 10.7270/Q2QR4ZB9 |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Lactobacillus casei (expressed as log 1/Kiapp) |
J Med Chem 25: 777-84 (1982)
BindingDB Entry DOI: 10.7270/Q2WH2S6T |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| 132 | 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 | 3D Structure (crystal) |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Binding affinity of the compound was reported with purified recombinant P. carnii Dihydrofolate reductase |
J Med Chem 38: 4739-59 (1996)
BindingDB Entry DOI: 10.7270/Q26D5S01 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB PubMed
| 195 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description Inhibition of human dihydrofolate reductase (DHFR) enzyme |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Streptococcus pneumoniae) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| | 240 | -38.4 | 3.00E+3 | n/a | n/a | n/a | n/a | 7.0 | 30 |
ARPIDA AG
| Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba... |
Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006)
BindingDB Entry DOI: 10.7270/Q2959FTP |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| PDB PubMed
| 242 | 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 | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| 242 | 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 | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi. |
J Med Chem 42: 4300-12 (1999)
BindingDB Entry DOI: 10.7270/Q21R6PQG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB PubMed
| 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of recombinant Dihydrofolate reductase from humans. |
J Med Chem 42: 4300-12 (1999)
BindingDB Entry DOI: 10.7270/Q21R6PQG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bos taurus (Cattle)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB
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| 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2. |
J Med Chem 25: 435-40 (1982)
BindingDB Entry DOI: 10.7270/Q2DF6TDD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bos taurus (Cattle)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB
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| PDB PubMed
| 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Wnt2/beta-catenin signaling in human A549 cells assessed as inhibition of cell proliferation after 48 hrs by MTT assay |
J Med Chem 25: 435-40 (1982)
BindingDB Entry DOI: 10.7270/Q2DF6TDD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bos taurus (Cattle)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB
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| PDB PubMed
| 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of dihydrofolate reductase from bovine liver |
J Med Chem 24: 538-44 (1981)
BindingDB Entry DOI: 10.7270/Q2GF0WQM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase [F98Y]
(Staphylococcus aureus (subsp. aureus NCTC 8325)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| PDB
| 5.50E+3 | -30.5 | 4.50E+4 | n/a | n/a | n/a | n/a | 7.0 | 30 |
ARPIDA AG
| Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba... |
Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006)
BindingDB Entry DOI: 10.7270/Q2959FTP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Streptococcus pneumoniae (ATCC49619)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| | 5.60E+3 | -30.5 | 4.20E+4 | n/a | n/a | n/a | n/a | 7.0 | 30 |
ARPIDA AG
| Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba... |
Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006)
BindingDB Entry DOI: 10.7270/Q2959FTP |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| PDB Article PubMed
| 5.69E+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 | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
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| PDB Article PubMed
| 6.66E+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 | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| 1.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc.
Curated by ChEMBL
| Assay Description Inhibition of human DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in p... |
J Med Chem 57: 651-68 (2014)
Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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Patents
Similars
| DrugBank PDB Article PubMed
| 1.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, San Diego, CA 92121, United States.
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect... |
Bioorg Med Chem Lett 21: 5171-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.059 BindingDB Entry DOI: 10.7270/Q27H1JZH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 2.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| DrugBank PDB Article PubMed
| 4.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of recombinant human DHFR assessed as reduction in NADPH oxidation using dihydrofolate as substrate preincubated for 5 mins followed by su... |
ACS Med Chem Lett 7: 692-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00120 BindingDB Entry DOI: 10.7270/Q2DJ5HKK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it.
Curated by ChEMBL
| Assay Description Inhibition of human DHFR |
Eur J Med Chem 135: 467-478 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
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Patents
Similars
| PubMed
| 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against chicken dihydrofolate reductase at pH 7.2. |
J Med Chem 25: 435-40 (1982)
BindingDB Entry DOI: 10.7270/Q2DF6TDD |
More data for this Ligand-Target Pair | |