BDBM51317 1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione::1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-dione::1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-quinone::MLS000697676::SMR000445578::TANSHINONE I::acs.jmedchem.1c00409_ST.675::cid_114917

SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12

InChI Key InChIKey=AIGAZQPHXLWMOJ-UHFFFAOYSA-N

Data  7 KI  16 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 51317   

TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  2.21E+3nMAssay Description:Inhibition of full-length SARS-CoV-2 papain-like protease (1564 to 1878 residues) expressed in Escherichia coli Rosetta (DE3) using Arg-Leu-Arg-Gly-G...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed