BDBM50329612 6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)pyrimidine-2,4-diamine::CHEMBL1270633

SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccccc1

InChI Key InChIKey=QKLZHVMWTSBUFL-UHFFFAOYSA-N

Data  1 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 50329612   

TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329612(6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...)
Affinity DataKi:  330nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Streptococcus pyogenes)
University Of Connecticut

US Patent
LigandPNGBDBM50329612(6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...)
Affinity DataIC50:  52nMAssay Description:Heterocyclic analogs of propargyl-linked inhibitors of the third generation analogs were evaluated in enzyme inhibition assays, assessed for S. aur...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329612(6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...)
Affinity DataIC50:  973nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

US Patent
LigandPNGBDBM50329612(6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...)
Affinity DataIC50:  59nMAssay Description:Heterocyclic analogs of propargyl-linked inhibitors of the third generation analogs were evaluated in enzyme inhibition assays, assessed for S. aur...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

US Patent
LigandPNGBDBM50329612(6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...)
Affinity DataIC50:  140nMAssay Description:Heterocyclic analogs of propargyl-linked inhibitors of the third generation analogs were evaluated in enzyme inhibition assays, assessed for S. aur...More data for this Ligand-Target Pair
In DepthDetails US Patent