BDBM50320793 CHEMBL1165305::Methyl5-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-methoxyphenoxy)pentanoate

SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC

InChI Key InChIKey=YRXPCPGTMSVNEK-UHFFFAOYSA-N

Data  2 KI  2 IC50

  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 4 hits for monomerid = 50320793   

TargetDihydrofolate reductase(Human)
University of Alabama

Curated by ChEMBL
LigandPNGBDBM50320793(Methyl5-(5-[(2,4-diamino-6-quinazolinyl)methyl]ami...)
Affinity DataIC50: 93.5nMAssay Description:Inhibition of human DHFR by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma cruzi)
University of Alabama

Curated by ChEMBL
LigandPNGBDBM50320793(Methyl5-(5-[(2,4-diamino-6-quinazolinyl)methyl]ami...)
Affinity DataIC50: 27nMAssay Description:Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma cruzi)
University of Alabama

Curated by ChEMBL
LigandPNGBDBM50320793(Methyl5-(5-[(2,4-diamino-6-quinazolinyl)methyl]ami...)
Affinity DataKi:  1.60nMAssay Description:Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of Alabama

Curated by ChEMBL
LigandPNGBDBM50320793(Methyl5-(5-[(2,4-diamino-6-quinazolinyl)methyl]ami...)
Affinity DataKi:  13nMAssay Description:Inhibition of human DHFR by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed