BDBM50536185 CHEMBL4588910::US10870625, Compound 57

SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(ccc1OC)-c1ccncc1

InChI Key InChIKey=PPKWGSTVAQFAGZ-CQSZACIVSA-N

Data  1 KI  1 IC50

  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 2 hits for monomerid = 50536185   

TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50536185(CHEMBL4588910 | US10870625, Compound 57)
Affinity DataKi:  1.60nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

US Patent
LigandPNGBDBM50536185(CHEMBL4588910 | US10870625, Compound 57)
Affinity DataIC50:  144nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent