BDBM50448761 CHEMBL3128021::US8835445, 22

SMILES Cc1cc2nc(-c3nccs3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C

InChI Key InChIKey=RLRIWYVVMLSWOC-UHFFFAOYSA-N

Data  4 KI

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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50448761   

TargetDihydrofolate reductase(Staphylococcus aureus)
Trius Therapeutics

US Patent
LigandPNGBDBM50448761(CHEMBL3128021 | US8835445, 22)
Affinity DataKi:  0.00200nMAssay Description:Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Staphylococcus aureus)
Trius Therapeutics

US Patent
LigandPNGBDBM50448761(CHEMBL3128021 | US8835445, 22)
Affinity DataKi:  0.00200nMAssay Description:Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Trius Therapeutics

Curated by ChEMBL
LigandPNGBDBM50448761(CHEMBL3128021 | US8835445, 22)
Affinity DataKi:  93nMAssay Description:Inhibition of human DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Trius Therapeutics

Curated by ChEMBL
LigandPNGBDBM50448761(CHEMBL3128021 | US8835445, 22)
Affinity DataKi:  93.5nMAssay Description:Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...More data for this Ligand-Target Pair
In DepthDetails US Patent