BDBM50335530 (S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-propylphthalazin-2(1H)-yl)prop-2-en-1-one::(S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-propylphthalazin-2(1H)-yl)prop-2-en-1-one::5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine::CHEMBL1235617

SMILES CCC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC

InChI Key InChIKey=YGDVMSPWZQHNMB-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 = 50335530   

TargetDihydrofolate reductase(Staphylococcus aureus)
Oklahoma State University

Curated by ChEMBL
LigandPNGBDBM50335530((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
Oklahoma State University

Curated by ChEMBL
LigandPNGBDBM50335530((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Oklahoma State University

Curated by ChEMBL
LigandPNGBDBM50335530((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2013
Entry Details Article
PubMed
TargetDihydrofolate reductase(Bacillus anthracis)
Oklahoma State University

Curated by ChEMBL
LigandPNGBDBM50335530((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)
Affinity DataIC50: 54nMAssay Description:Inhibition of Bacillus anthracis DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2013
Entry Details Article
PubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
Oklahoma State University

Curated by ChEMBL
LigandPNGBDBM50335530((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of wild type Staphylococcus aureus DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
Oklahoma State University

Curated by ChEMBL
LigandPNGBDBM50335530((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed