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 4 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 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