BDBM50594589 CHEMBL5197155::US20260125365, Compound I-0110

SMILES Cn1cc2cc(Nc3nc(=O)n(Cc4cc5ccsc5[nH]c4=O)c(=O)n3Cc3cc(F)c(F)c(F)c3)c(Cl)cc2n1

InChI Key InChIKey=WIAUEGRDSIECQN-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 = 50594589   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50594589BDBM50594589(CHEMBL5197155 | US20260125365, Compound I-0110)
Affinity DataIC50: 4nMAssay 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
TargetReplicase polyprotein 1a(2019-nCoV)
Shionogi & Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50594589BDBM50594589(CHEMBL5197155 | US20260125365, Compound I-0110)
Affinity DataIC50: 4.20nMAssay Description:Compounds of Formula I were screened for their ability to inhibit JAK2 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