Found 42 hits Enzyme Inhibition Constant Data 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
(185/186 > 99%)† (Homo sapiens (Human)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Dihydrofolate reductase enzyme |
J Med Chem 39: 892-903 (1996)
Article DOI: 10.1021/jm9505122 BindingDB Entry DOI: 10.7270/Q2XD10RC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(185/186 > 99%)† (Homo sapiens (Human)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibitory activity against Wild-type human DHFR |
J Med Chem 38: 745-52 (1995)
BindingDB Entry DOI: 10.7270/Q2JQ11PK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(185/186 > 99%)† (Homo sapiens (Human)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase |
J Med Chem 38: 745-52 (1995)
BindingDB Entry DOI: 10.7270/Q2JQ11PK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(185/186 > 99%)† (Homo sapiens (Human)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(185/186 > 99%)† (Homo sapiens (Human)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range : 0.53-0.70 |
J Med Chem 47: 2475-85 (2004)
Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition against Dihydrofolate reductase in rat liver |
J Med Chem 40: 1173-7 (1997)
Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
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| MMDB PDB PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of rat liver Dihydrofolate reductase |
J Med Chem 38: 2158-65 (1995)
BindingDB Entry DOI: 10.7270/Q2DB80V1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of Dihydrofolate Reductase of Rat Liver. |
J Med Chem 40: 479-85 (1997)
Article DOI: 10.1021/jm960734f BindingDB Entry DOI: 10.7270/Q2348JGV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inihibitory concentration against rat liver dihydrofolate reductase (DHFR) |
J Med Chem 40: 3032-9 (1997)
Article DOI: 10.1021/jm970271t BindingDB Entry DOI: 10.7270/Q2GX49PG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University
Curated by ChEMBL
| Assay Description Inhibitory activity against Dihydrofolate reductase from rat liver was evaluated using 90 microM dihydrofolic acid as substrate |
J Med Chem 40: 3040-8 (1997)
Article DOI: 10.1021/jm970055k BindingDB Entry DOI: 10.7270/Q2C53JZ2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Rat liver Dihydrofolate reductase |
J Med Chem 40: 1930-6 (1997)
Article DOI: 10.1021/jm960693n BindingDB Entry DOI: 10.7270/Q2H41QHF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibitory activity against rat liver Dihydrofolate reductase |
J Med Chem 38: 745-52 (1995)
BindingDB Entry DOI: 10.7270/Q2JQ11PK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver |
J Med Chem 41: 4533-41 (1998)
Article DOI: 10.1021/jm980206z BindingDB Entry DOI: 10.7270/Q2FX78KJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver |
J Med Chem 37: 4522-8 (1995)
BindingDB Entry DOI: 10.7270/Q2DF6RVD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl) |
J Med Chem 42: 2447-55 (1999)
Article DOI: 10.1021/jm990079m BindingDB Entry DOI: 10.7270/Q2833R62 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against rat liver dihydrofolate reductase |
J Med Chem 39: 1271-80 (1996)
Article DOI: 10.1021/jm950760y BindingDB Entry DOI: 10.7270/Q2154G39 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory activity against rat liver dihydrofolate reductase. |
J Med Chem 39: 1836-45 (1996)
Article DOI: 10.1021/jm950918e BindingDB Entry DOI: 10.7270/Q2319TXB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
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| MMDB PDB PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of rat liver dihydrofolate reductase. |
J Med Chem 36: 3103-12 (1993)
BindingDB Entry DOI: 10.7270/Q23X85PX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
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| MMDB PDB PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
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| MMDB PDB PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory activity against Dihydrofolate reductase from rat liver |
J Med Chem 38: 1778-85 (1995)
BindingDB Entry DOI: 10.7270/Q2FB520T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
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| MMDB PDB PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of rat liver dihydrofolate reductase |
J Med Chem 40: 3032-9 (1997)
Article DOI: 10.1021/jm970271t BindingDB Entry DOI: 10.7270/Q2GX49PG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Dihydrofolate reductase from Rat liver (rl) |
J Med Chem 40: 470-8 (1997)
Article DOI: 10.1021/jm9606913 BindingDB Entry DOI: 10.7270/Q26W9968 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of partially purified dihydrofolate reductase (DHFR) from rat liver |
J Med Chem 45: 233-41 (2001)
BindingDB Entry DOI: 10.7270/Q2SX6CJ2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound was tested against rat DHFR* |
J Med Chem 46: 1726-36 (2003)
Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(185/186 > 99%)† (Homo sapiens (Human)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHFR expressed in Escherichia coli Rosetta Gami B (DE3) competent cells using DHFA as substrate and NADPH |
Bioorg Med Chem 26: 2640-2650 (2018)
Article DOI: 10.1016/j.bmc.2018.04.032 BindingDB Entry DOI: 10.7270/Q2QJ7KXF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(185/186 > 99%)† (Homo sapiens (Human)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHFR |
J Med Chem 56: 4422-41 (2013)
Article DOI: 10.1021/jm400086g BindingDB Entry DOI: 10.7270/Q2F47QH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against rat dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103 BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition Dihydrohydrofolate reductase(DHFR) of rat liver |
J Med Chem 46: 1726-36 (2003)
Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range : 2.9-3.9 |
J Med Chem 47: 2475-85 (2004)
Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to... |
J Med Chem 48: 4420-31 (2005)
Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(185/186 > 99%)† (Homo sapiens (Human)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(185/186 > 99%)† (Homo sapiens (Human)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range : 4.0-4.6 |
J Med Chem 47: 2475-85 (2004)
Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of rat liver dihydrofolate reductase |
J Med Chem 51: 6195-200 (2008)
Article DOI: 10.1021/jm800694g BindingDB Entry DOI: 10.7270/Q2BP03PT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibitory concentration against dihydrofolate reductase DHFR from rat liver. |
J Med Chem 44: 2391-402 (2001)
BindingDB Entry DOI: 10.7270/Q21J9911 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(185/186 > 99%)† (Homo sapiens (Human)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(185/186 > 99%)† (Homo sapiens (Human)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range : 9.0-17 |
J Med Chem 47: 2475-85 (2004)
Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested |
J Med Chem 42: 1007-17 (1999)
Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(166/186 = 89%)† (Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Compound was tested for inhibition activity against rat liver lipophilic Dihydrofolate reductase (DHFR). |
J Med Chem 41: 913-8 (1998)
Article DOI: 10.1021/jm970614n BindingDB Entry DOI: 10.7270/Q2BR8R9G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens) | CHEMBL5275116
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C24H37N2O6P/c25-15-6-4-14-22(23(27)26-20-13-8-12-19(20)17-21(26)24(28)29)32-33(30,31)16-7-5-11-18-9-2-1-3-10-18/h1-3,9-10,19-22H,4-8,11-17,25H2,(H,28,29)(H,30,31)/t19-,20-,21-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL CHEMBL PC cid PC sid UniChem
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| | n/a | n/a | 808 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description In vitro inhibition of human dihydrofolate reductase |
Citation and Details
|
More data for this Ligand-Target Pair | |