BDBM50329610 6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)pyrimidine-2,4-diamine::CHEMBL1270533

SMILES CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1ccccc1

InChI Key InChIKey=LBQMRSNKEUNXMT-UHFFFAOYSA-N

Data  1 KI  4 IC50

PDB links: 2 PDB IDs match 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 = 50329610   

TargetDihydrofolate reductase(Staphylococcus aureus)
University of Connecticut

US Patent
LigandPNGBDBM50329610(6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)p...)
Affinity DataIC50: 2.40nMAssay 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 DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Streptococcus pyogenes (Firmicutes))
University of Connecticut

US Patent
LigandPNGBDBM50329610(6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)p...)
Affinity DataIC50: 5.90nMAssay 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 DepthDetails
US Patent

TargetDihydrofolate reductase(Human)
University of Connecticut

US Patent
LigandPNGBDBM50329610(6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)p...)
Affinity DataIC50: 300nMAssay 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 DepthDetails
US Patent

TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329610(6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)p...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329610(6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)p...)
Affinity DataKi:  1.21E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)