BDBM540818 Propargyl- (2alpha,3beta)-2,3- bis(propargyloxy)- olean-12-en-28- oate::US11266632, Compound 7

SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](OCC#C)[C@H](OCC#C)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCC#C

InChI Key InChIKey=OOMPBXRPDOSICJ-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 = 540818   

TargetSpike glycoprotein(2019-nCoV)
King Abdulaziz University

US Patent
LigandPNGBDBM540818(US11266632, Compound 7 | Propargyl- (2alpha,3beta)...)
Affinity DataIC50: 1.08E+5nMAssay Description:The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2022
Entry Details
Go to US Patent