BDBM420296 Advanced SARS-CoV-2 Inhibitor 11a::MPI10::acs.jmedchem.1c00409_ST.40::med.21724, Compound 61::peptidomimetic aldehydes 11a::peptidomimetic coronavirus 3CLpro inhibitors 11a

SMILES c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O

InChI Key InChIKey=HPKJGHVHQWJOOT-UHFFFAOYSA-N

Data  2 KI  23 IC50  7 EC50

PDB links: 3 PDB IDs match this monomer.

  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 3 hits for monomerid = 420296   

TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 31nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 14nMAssay Description:SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2021
Entry Details Article
PubMed