BDBM50320789 CHEMBL1164234::methyl5-{5-[[(2,4-diamino-6-quinazolinyl)methyl](propyl)amino]-2-methoxyphenoxy}pentanoate

SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1

InChI Key InChIKey=HLWHXSAKXSQPIC-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 = 50320789   

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

Curated by ChEMBL
LigandPNGBDBM50320789(methyl5-{5-[[(2,4-diamino-6-quinazolinyl)methyl](p...)
Affinity DataIC50: 422nMAssay 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
LigandPNGBDBM50320789(methyl5-{5-[[(2,4-diamino-6-quinazolinyl)methyl](p...)
Affinity DataIC50: 1.34E+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
LigandPNGBDBM50320789(methyl5-{5-[[(2,4-diamino-6-quinazolinyl)methyl](p...)
Affinity DataKi:  24.9nMAssay 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
LigandPNGBDBM50320789(methyl5-{5-[[(2,4-diamino-6-quinazolinyl)methyl](p...)
Affinity DataKi:  188nMAssay 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