BDBM50629855 CHEMBL5409027

SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@]4([H])O[C@H](CO)[C@@H](O[C@]5([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@]4([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)Nc1ccc2ccccc2c1)C(C)=C

InChI Key InChIKey=NHKUPNUMMPYUBL-UHFFFAOYSA-N

Data  1 Kd

  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 = 50629855   

TargetSpike glycoprotein(2019-nCoV)
South China Agricultural University

Curated by ChEMBL
LigandPNGBDBM50629855(CHEMBL5409027)
Affinity DataKd:  3.26E+3nMAssay Description:Binding affinity to C-terminal 6His-tagged SARS-COV-2 recombinant S protein (Val16 to Arg685 residues) expressed in mammalian expression system asses...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed