BDBM50664968 CHEMBL6151461

SMILES Cc1nc(C(=O)N2CCOCC2)c(C(=O)Nc2ccc(Cl)cc2)[nH]1

InChI Key InChIKey=XNFAEOQTWWARBK-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 50664968   

TargetReplicase polyprotein 1ab(2019-nCoV)
University of Medicine and Pharmacy at Ho Chi Minh City (UMP)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50664968BDBM50664968(CHEMBL6151461)
Affinity DataIC50: 4.79E+3nMAssay Description:Inhibition of recombinant SARS-CoV-2 main protease using Dabcyl-KTSAVLQSGFRKM{Glu(Edans)} as substrate preincubated for 10 mins followed by substrate...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Medicine and Pharmacy at Ho Chi Minh City (UMP)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50664968BDBM50664968(CHEMBL6151461)
Affinity DataKi:  1.50E+4nMAssay Description:Competitive inhibition of recombinant SARS-CoV-2 main protease using varying levels of Dabcyl-KTSAVLQSGFRKM{Glu(Edans)} as substrate by Lineweaver-Bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed