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-NEQMZLFVSA-N

Data  1 KI  4 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 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 DataKi:  0.900nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair
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 DepthDetails ArticlePubMedMMDB

TargetDihydrofolate reductase(Homo sapiens (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 DepthDetails ArticlePubMed
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
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