BDBM50320792 CHEMBL1165388::Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-methoxyphenoxy)butanoate::ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate

SMILES CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N

InChI Key InChIKey=YUHXPHNBJFUHSN-UHFFFAOYSA-N

Data  3 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50320792   

TargetDihydrofolate reductase(Human)
University of Alabama

Curated by ChEMBL
LigandPNGBDBM50320792(Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amin...)
Affinity DataIC50: 68.3nMAssay 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
LigandPNGBDBM50320792(Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amin...)
Affinity DataIC50: 23.8nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma cruzi)
University of Alabama

Curated by ChEMBL
LigandPNGBDBM50320792(Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amin...)
Affinity DataKi:  1.30nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma cruzi)
University of Alabama

Curated by ChEMBL
LigandPNGBDBM50320792(Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amin...)
Affinity DataKi:  5.68nMAssay Description:Inhibition of Trypanosoma cruzi DHFR by Lineweaver-Burke plotMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
University of Alabama

Curated by ChEMBL
LigandPNGBDBM50320792(Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amin...)
Affinity DataKi:  9.60nMAssay 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