BDBM50320790 4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-methoxyphenoxy)butanoic acid::CHEMBL1164279

SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O

InChI Key InChIKey=HRLJXDNIMDPPNN-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50320790   

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

Curated by ChEMBL
LigandPNGBDBM50320790(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)
Affinity DataIC50: 61nMAssay 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
LigandPNGBDBM50320790(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)
Affinity DataIC50: 357nMAssay 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
LigandPNGBDBM50320790(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)
Affinity DataKi:  3.60nMAssay 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
LigandPNGBDBM50320790(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)
Affinity DataKi:  49.8nMAssay 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