BDBM509895 US11124497, Compound 475 (Isomer 1)::US11312704, Compound 475 Isomer 2

SMILES O=C(N[C@@H](C[C@@H]1CCNC1=O)C#N)[C@H](CC1CC1)N1CC[C@@]2(CCCCN2)C1=O

InChI Key InChIKey=CKKIWKUMMOHWFB-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 509895   

TargetReplicase polyprotein 1ab(HCoV-229E)
Pardes Biosciences

US Patent
LigandPNGBDBM509895(US11124497, Compound 475 (Isomer 1) | US11312704, ...)
Affinity DataIC50: 6.00E+3nMAssay Description:Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/13/2022
Entry Details
US Patent

TargetReplicase polyprotein 1ab(HCoV-229E)
Pardes Biosciences

US Patent
LigandPNGBDBM509895(US11124497, Compound 475 (Isomer 1) | US11312704, ...)
Affinity DataIC50: 6.00E+3nMAssay Description:Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
US Patent

TargetReplicase polyprotein 1ab(2019-nCoV)
Pardes Biosciences

US Patent
LigandPNGBDBM509895(US11124497, Compound 475 (Isomer 1) | US11312704, ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
US Patent

TargetReplicase polyprotein 1ab(2019-nCoV)
Pardes Biosciences

US Patent
LigandPNGBDBM509895(US11124497, Compound 475 (Isomer 1) | US11312704, ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/13/2022
Entry Details
US Patent