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

SMILES CCC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1

InChI Key InChIKey=LMNOGGWYIMBHHK-UHFFFAOYSA-N

Data  1 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50298803   

TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50298803((+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1...)
Affinity DataKi:  3.37E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

LigandPNGBDBM50298803((+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-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 DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50298803((+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Candida albicans)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50298803((+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-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 susbtrateMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Candida Glabrata)
University Of Connecticut

LigandPNGBDBM50298803((+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-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
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

LigandPNGBDBM50298803((+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1...)
Affinity DataIC50:  200nMAssay Description:Inhibition of human DHFR assessed as rate of NADPH consumption using dihydrofolate as susbtrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed