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

SMILES CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3

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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50329612   

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. aureu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2015
Entry Details
Go to US Patent

TargetDihydrofolate reductase(Streptococcus pyogenes (Firmicutes))
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. aureu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2015
Entry Details
Go to US Patent

TargetDihydrofolate reductase(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. aureu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2015
Entry Details
Go to 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
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
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
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)