BDBM50298803 (+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1-ynyl)pyrimidine-2,4-diamine::CHEMBL574335::Propargyl-substituted antifolate, 18

SMILES CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC

InChI Key InChIKey=LMNOGGWYIMBHHK-UHFFFAOYSA-N

Data  1 KI  5 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 = 50298803   

TargetDihydrofolate reductase(Yeast)
University of Connecticut

LigandPNGBDBM50298803(CHEMBL574335 | Propargyl-substituted antifolate, 1...)
Affinity DataIC50: 27nMAssay Description:Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2011
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of Connecticut

LigandPNGBDBM50298803(CHEMBL574335 | Propargyl-substituted antifolate, 1...)
Affinity DataIC50: 200nMAssay Description:Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2011
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of Connecticut

LigandPNGBDBM50298803(CHEMBL574335 | Propargyl-substituted antifolate, 1...)
Affinity DataIC50: 200nMAssay 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
LigandPNGBDBM50298803(CHEMBL574335 | Propargyl-substituted antifolate, 1...)
Affinity DataIC50: 45nMAssay 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
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50298803(CHEMBL574335 | Propargyl-substituted antifolate, 1...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50298803(CHEMBL574335 | Propargyl-substituted antifolate, 1...)
Affinity DataKi:  3.37E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed