BDBM50594590 CHEMBL5187177::US20250025459, Compound I-003::US20250127788, Compound I-003

SMILES Cc1cncc(c1)-n1c(=O)nc(Nc2cc3cn(C)nc3cc2Cl)n(Cc2cc(F)c(F)c(F)c2)c1=O

InChI Key InChIKey=FTIFIZZEWIBTMR-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50594590   

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

Curated by ChEMBL
LigandPNGBDBM50594590(CHEMBL5187177 | US20250025459, Compound I-003 | US...)
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
TargetReplicase polyprotein 1a(2019-nCoV)
Shionogi

US Patent
LigandPNGBDBM50594590(CHEMBL5187177 | US20250025459, Compound I-003 | US...)
Affinity DataIC50: 14nMAssay Description:In this test, an assay buffer consisting of 20 mM Tris-HCl, 100 mM sodium chloride, 1 mM EDTA, 10 mM DTT, and 0.01% BSA is used. For compounds with a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2025
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM50594590(CHEMBL5187177 | US20250025459, Compound I-003 | US...)
Affinity DataIC50: 14nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2025
Entry Details
Go to US Patent