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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 18268   

TargetDihydrofolate reductase(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataKi:  0.0400nMAssay Description:Inhibition of DHFR (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetDihydrofolate reductase(Mus musculus (Mouse))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataKi:  0.0600nMAssay Description:Inhibitory constant of the compound for murine Wild-type dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataKi:  0.710nMAssay Description:Binding affinity of the compound was reported with purified recombinant P. carnii Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataKi:  0.810nMAssay Description:Inhibitory constant of the compound for F31A/F34A murine dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataKi:  1.40nMAssay Description:Inhibition of human recombinant Dihydrofolate reductase enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDihydrofolate reductase(Candida albicans)
Wellcome Research Laboratories

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataKi:  1.90nMAssay Description:Inhibition of Dihydrofolate reductase enzyme from Candida albicansMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma cruzi)
University Of Alabama

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataKi:  6.60nMAssay Description:Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assayMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Panjab University

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))
Panjab University

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