BDBM50351179 CHEMBL1818121

SMILES CCOc1ccc(C=O)cc1-c1cc2nc(N)nc(N)c2cc1C

InChI Key InChIKey=BDVALXKNVWZHIQ-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50351179   

TargetDihydrofolate reductase(Staphylococcus aureus)
Trius Therapeutics, San Diego, Ca 92121, United States.

Curated by ChEMBL
LigandPNGBDBM50351179(CHEMBL1818121)
Affinity DataKi:  0.240nMAssay Description:Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Trius Therapeutics, San Diego, Ca 92121, United States.

Curated by ChEMBL
LigandPNGBDBM50351179(CHEMBL1818121)
Affinity DataKi:  12nMAssay Description:Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed