BDBM50627838 CHEMBL5399253

SMILES COc1cccc2[nH]c(C(=O)N3CC4(CCCC4)CC3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)cc12

InChI Key InChIKey=DHXRAUQHAHLJHH-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 50627838   

TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50627838BDBM50627838(CHEMBL5399253)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of His/SUMO tagged SARS-CoV-2 main protease transfected in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKME-Edans as substrate prei...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed