BDBM50421806 CHEMBL5269476

SMILES [#6]\[#6](-[#6])=[#6]\[#6]C12[#8]-c3cc(-[#8])c(-[#6]-4-[#6]=[#6](-[#6])-[#6]-[#6](-[#6]-4-[#6](=O)-c4ccc(-[#8])cc4-[#8])-c4ccc(-[#8])cc4-[#8])c(-[#8])c3-[#6](=O)C1([#8])[#8]-c1cc(-[#8])ccc21

InChI Key InChIKey=UUSSTJBDWHEZEH-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50421806   

TargetReplicase polyprotein 1ab(2019-nCoV)
University of Vienna

Curated by ChEMBL
LigandPNGBDBM50421806(CHEMBL5269476)
Affinity DataIC50: 1.39E+4nMAssay Description:Inhibition of 6his/TEV-fused GST tagged SARS-CoV-2 MPro (1 to 306 residues) expressed in Escherichia coli RIL cells using 5-FAM-AVLQSGFR-Lys-(Dabcyl)...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed