BDBM50594580 CHEMBL5194350::US20260125365, Compound II-0548

SMILES CCn1cc2cc(Nc3nc(=O)n(Cc4ncn(C)n4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1

InChI Key InChIKey=PSRQNNDOHLXRFS-UHFFFAOYSA-N

Data  2 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 = 50594580   

TargetReplicase polyprotein 1a(2019-nCoV)
Shionogi & Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50594580BDBM50594580(CHEMBL5194350 | US20260125365, Compound II-0548)
Affinity DataIC50: 14nMAssay Description:Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/16/2026
Entry Details
US Patent

TargetReplicase polyprotein 1ab(2019-nCoV)
Experimental Drug Development Centre

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50594580BDBM50594580(CHEMBL5194350 | US20260125365, Compound II-0548)
Affinity DataIC50: 14nMAssay Description:Inhibition of recombinant SARS-CoV-2 main protease usingDABCYLKTSAVLQSGFRKME(EDANS)-NH2 fluorogenic peptide substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed