BDBM510123 (2S,4R)-4-tert-Butyl-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-1-{N- [(trifluoromethyl)sulfonyl]-L-valyl}piperidine-2-carboxamide [75 (DIAST-1)]::WO2021250648, Example 75::WO2021250648, Example 76

SMILES CC(C)[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1CC[C@H](C[C@@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(C)(C)C

InChI Key InChIKey=AMFUHIPJZKDLBX-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  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 4 hits for monomerid = 510123   

TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

WIPO
LigandPNGBDBM510123(WO2021250648, Example 75 | (2S,4R)-4-tert-Butyl-N-...)
Affinity DataIC50: 17nMAssay 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:
1/13/2022
Entry Details
WIPO WO2021250648

TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

WIPO
LigandPNGBDBM510123(WO2021250648, Example 75 | (2S,4R)-4-tert-Butyl-N-...)
Affinity DataEC50:  551nMAssay 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 assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/13/2022
Entry Details
WIPO WO2021250648

TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

WIPO
LigandPNGBDBM510123(WO2021250648, Example 75 | (2S,4R)-4-tert-Butyl-N-...)
Affinity DataIC50: 8.16E+3nMAssay 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:
1/13/2022
Entry Details
WIPO WO2021250648

TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

WIPO
LigandPNGBDBM510123(WO2021250648, Example 75 | (2S,4R)-4-tert-Butyl-N-...)
Affinity DataEC50: >1.00E+5nMAssay 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 assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/13/2022
Entry Details
WIPO WO2021250648