BDBM25824 5-{3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1-yn-1-yl}-6-methylpyrimidine-2,4-diamine::propargyl-based inhibitor, 17c (+/-)

SMILES COc1cc(ccc1-c1c(C)cccc1C)C(C)C#Cc1c(C)nc(N)nc1N

InChI Key InChIKey=NUZPENCTXJLJCY-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 25824   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
University Of Connecticut At Storrs

LigandPNGBDBM25824(5-{3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1...)
Affinity DataIC50:  7.40nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM25824(5-{3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1...)
Affinity DataIC50:  3.37E+3nMAssay Description:Inhibition of human DHFR assessed as rate of NADPH consumption using dihydrofolate as susbtrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Candida albicans)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM25824(5-{3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1...)
Affinity DataIC50:  32nMAssay Description:Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM25824(5-{3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1...)
Affinity DataIC50:  3.37E+3nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed