BDBM510145 (1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[2-(2,2,2- trifluoroacetamido)-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.10]hexane-2- carboxamide, from C86 (DIAST-2) (97)::WO2021250648, Example 97

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

InChI Key InChIKey=CKIKEFAXGVRFNU-UHFFFAOYSA-N

Data  1 IC50  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 = 510145   

TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

WIPO
LigandPNGBDBM510145(WO2021250648, Example 97 | (1R,2S,5S)-N-{(1S)-1-Cy...)
Affinity DataIC50: 11nMAssay 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
LigandPNGBDBM510145(WO2021250648, Example 97 | (1R,2S,5S)-N-{(1S)-1-Cy...)
Affinity DataEC50:  82nMAssay 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