BDBM50226891 (1R,6S)-3-methyl-6-{(1R)-1-methyl-3-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]hept-2-yl]propyl}cyclohex-2-en-1-ol::CHEMBL236799

SMILES CN1CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@H](C#N)C[C@@H]2C[C@H](NC2=O)C1=O)C3(C)C

InChI Key InChIKey=KDAZOFZEOLDSOK-UHFFFAOYSA-N

Data  1 IC50

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

Found 1 hit for monomerid = 50226891   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai CureGene Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50226891BDBM50226891(CHEMBL6102410)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of BACE1 (unknown origin) by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details ArticlePubMed