BDBM25827 5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine::propargyl-based inhibitor, S-10a

SMILES COc1cc(cc(c1)-c1ccccc1)[C@H](C)C#Cc1c(C)nc(N)nc1N

InChI Key InChIKey=JPENSYBRTSIYGO-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 25827   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium parvum)
University of Connecticut At Storrs

LigandPNGBDBM25827(5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Affinity DataIC50: 30nMpH: 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 Depth
Date in BDB:
12/5/2008
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of Connecticut At Storrs

LigandPNGBDBM25827(5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Affinity DataIC50: 1.38E+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 Depth
Date in BDB:
12/5/2008
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium parvum)
University of Connecticut At Storrs

LigandPNGBDBM25827(5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Affinity DataIC50: 30nMAssay Description:Compounds were evaluated in spectrophotometric enzyme assays using ChDHFR-TS and hDHFR. Inhibition constants (IC50) were measured (see Table 4). The ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2015
Entry Details
Go to US Patent

TargetDihydrofolate reductase(Human)
University of Connecticut At Storrs

LigandPNGBDBM25827(5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Affinity DataIC50: 1.38E+3nMAssay Description:Compounds were evaluated in spectrophotometric enzyme assays using ChDHFR-TS and hDHFR. Inhibition constants (IC50) were measured (see Table 4). The ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2015
Entry Details
Go to US Patent

TargetDihydrofolate reductase(Human)
University of Connecticut At Storrs

LigandPNGBDBM25827(5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Affinity DataIC50: 1.38E+3nMAssay Description:Inhibition of human DHFR assessed as rate of NADPH consumption using dihydrofolate as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetDihydrofolate reductase(Yeast)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM25827(5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Affinity DataIC50: 37nMAssay Description:Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed