BDBM18268 5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine::CHEMBL119::TMQ::Trimetrexate::US11111252, Compound TMQ::US11530198, Example Trimetrexate

SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC

InChI Key InChIKey=NOYPYLRCIDNJJB-UHFFFAOYSA-N

Data  9 KI  130 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 18268   

TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataKi:  13nMAssay Description:Inhibitory compound against Wild-type human DHFR.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataKi:  83nMAssay Description:Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDihydrofolate reductase(Mycobacterium avium)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  1.5nMAssay Description:Inhibitory concentration against Mycobacterium avium dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  16nMAssay Description:Inhibitory concentration against Toxoplasma gondii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  47nMAssay Description:Inhibitory concentration against Pneumocystis carinii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  10nMAssay Description:Inhibition of dihydrofolate reductase in Toxoplasma gondii.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  42nMAssay Description:Compound was tested for inhibition activity against pneumocystis carinii (P. carinii) Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  10nMAssay Description:Compound was tested for inhibition activity against toxoplasma gondii (T. gondii) Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  3nMAssay Description:Inhibition of rat liver dihydrofolate reductase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  1.40nMAssay Description:Tested for inhibitory activity against dihydrofolate reductase in humanMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDihydrofolate reductase(Rattus norvegicus (rat))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  3nMAssay Description:Compound was tested for inhibition activity against rat liver lipophilic Dihydrofolate reductase (DHFR).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  10nMAssay Description:Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Toxoplasma gondii.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  42nMAssay Description:Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Pneumocystis carinii.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  3nMAssay Description:Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  8nMAssay Description:Inhibitory activity of the compound against rat dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  47nMAssay Description:Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range : 34-66More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  1.5nMAssay Description:Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range : 1.3-1.7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDihydrofolate reductase(Rattus norvegicus (rat))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  8nMAssay Description:Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range : 7.0-9.2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  16nMAssay Description:Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range : 8-30More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  12nMAssay Description:Tested for inhibitory concentration against human dihydrofolate reductase(DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDihydrofolate reductase(Pneumocystis carinii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  42nMAssay Description:Inhibitory activity against Pneumocystis carinii Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  3nMAssay Description:Inhibitory activity against rat liver Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  10nMAssay Description:Inhibitory activity against Toxoplasma gondii Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  42nMAssay Description:Inhibition of dihydrofolate reductase in pneumocystis carinii.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed