BDBM18498 6-methyl-5-[(3S)-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine::TMP derivative with propargyl-based linker, 38 (S)

SMILES COc1cc(cc(OC)c1OC)[C@H](C)C#Cc1c(C)nc(N)nc1N

InChI Key InChIKey=RUQVXLIOJPKNCM-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 18498   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium parvum)
Dartmouth College

LigandPNGBDBM18498(6-methyl-5-[(3S)-3-(3,4,5-trimethoxyphenyl)but-1-y...)
Affinity DataIC50: 1.91E+3nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2007
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18498(6-methyl-5-[(3S)-3-(3,4,5-trimethoxyphenyl)but-1-y...)
Affinity DataIC50: 13nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2007
Entry Details Article
PubMed
TargetDihydrofolate reductase(Yeast)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM18498(6-methyl-5-[(3S)-3-(3,4,5-trimethoxyphenyl)but-1-y...)
Affinity DataIC50: 110nMAssay 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