BDBM25822 5-[3-(3-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine::propargyl-based inhibitor, 17a (+/-)

SMILES COc1cc(ccc1-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N

InChI Key InChIKey=YYCPXVRHQUEVAW-UHFFFAOYSA-N

Data  1 KI  7 IC50

PDB links: 2 PDB IDs match this monomer.

  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 2 hits for monomerid = 25822   

TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM25822(5-[3-(3-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-me...)
Affinity DataKi:  5.83E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM25822(5-[3-(3-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-me...)
Affinity DataIC50:  1.73E+4nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed