BDBM50594585 CHEMBL5206128::US20260125365, Compound II-0584

SMILES Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(Cl)c(F)c(Cl)c3)c2=O)n1

InChI Key InChIKey=GFRZOFHSXMOTAM-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 = 50594585   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 50594585BDBM50594585(CHEMBL5206128 | US20260125365, Compound II-0584)
Affinity DataIC50: 4.80nMAssay 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 50594585BDBM50594585(CHEMBL5206128 | US20260125365, Compound II-0584)
Affinity DataIC50: 5nMAssay 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