BDBM50448742 CHEMBL3128016

SMILES COc1cc2nc(-c3nccs3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1OC

InChI Key InChIKey=WHHHBZDVDZWFFO-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50448742   

TargetDihydrofolate reductase(Staphylococcus aureus)
Trius Therapeutics

Curated by ChEMBL
LigandPNGBDBM50448742(CHEMBL3128016)
Affinity DataKi:  0.160nMAssay 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
LigandPNGBDBM50448742(CHEMBL3128016)
Affinity DataKi:  854nMAssay 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