BDBM50536190 CHEMBL4483336::US10870625, Compound 55

SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc2OCOc2c(c1)-c1ccncc1

InChI Key InChIKey=BFKKZVMQJNNEFK-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 2 hits for monomerid = 50536190   

TargetDihydrofolate reductase(Staphylococcus aureus)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50536190(CHEMBL4483336 | US10870625, Compound 55)
Affinity DataKi:  5.20nMAssay Description:Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of Connecticut

US Patent
LigandPNGBDBM50536190(CHEMBL4483336 | US10870625, Compound 55)
Affinity DataIC50: 2.91E+3nMAssay Description:Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2021
Entry Details
US Patent