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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 18268   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

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

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  10nMAssay Description:Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  260nMAssay Description:Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei (lcDHFR)More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Pneumocystis carinii)
Duquesne University

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

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  3nMAssay Description:Inhibitory activity against Dihydrofolate reductase from rat liver (rlDHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  10nMAssay Description:Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataIC50:  6.80E+3nMAssay Description:Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed