BDBM535130 WO2022013684, Example 6::tert-Butyl {(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2- oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]- 3,3-dimethyl-1-oxobutan-2-yl}carbamate (6)

SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C

InChI Key InChIKey=PFIOTPOLZKWXED-UHFFFAOYSA-N

Data  1 KI  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 535130   

TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

WIPO
LigandPNGBDBM535130(tert-Butyl {(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(1,3-ben...)
Affinity DataKi:  137nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/9/2022
Entry Details
WIPO WO2022013684

TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

WIPO
LigandPNGBDBM535130(tert-Butyl {(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(1,3-ben...)
Affinity DataEC50:  492nMAssay Description: The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/9/2022
Entry Details
WIPO WO2022013684