BDBM18490 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine::JMC517532 Compound 4::Propargyl-linked, 5::Propargyl-substituted antifolate, 7::TMP derivative with propargyl-based linker, 16

SMILES COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OC

InChI Key InChIKey=WJIMEKODTQDGFJ-UHFFFAOYSA-N

Data  1 KI  11 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 2 hits for monomerid = 18490   

TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataKi:  1.25E+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
LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataIC50:  3.70E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed