BDBM50320794 CHEMBL1165306::Methyl4-[(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-methoxyphenoxy)methyl]benzene carboxylate

SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1

InChI Key InChIKey=BYCSTMIHRAHFHA-UHFFFAOYSA-N

Data  2 KI  2 IC50

  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 = 50320794   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma cruzi)
University Of Alabama

Curated by ChEMBL
LigandPNGBDBM50320794(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)
Affinity DataKi:  3.30nMAssay Description:Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Alabama

Curated by ChEMBL
LigandPNGBDBM50320794(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)
Affinity DataKi:  24.5nMAssay Description:Inhibition of human DHFR by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma cruzi)
University Of Alabama

Curated by ChEMBL
LigandPNGBDBM50320794(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)
Affinity DataIC50:  57.5nMAssay Description:Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Alabama

Curated by ChEMBL
LigandPNGBDBM50320794(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)
Affinity DataIC50:  175nMAssay Description:Inhibition of human DHFR by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed