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 O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1

InChI Key InChIKey=HPKJGHVHQWJOOT-ZJOUEHCJSA-N

Data  1 KI  11 IC50  4 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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 420296   

TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataKi:  30nM IC50:  31nMAssay Description:The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...More data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  530nMAssay Description:Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate by FRET based assayMore data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataEC50:  720nMAssay Description:In vitro inhibition of viral main protease inhibitors against SARS-CoV-2. (A and B) Vero E6 cells were treated with a series concentration of indicat...More data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  50nMAssay Description:This is a review article.More data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataEC50:  420nMAssay Description:This is a review article.More data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
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
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TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  53nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  31nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataEC50:  530nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  53nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  8nMAssay Description:FRET-based enzymatic assay.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetCathepsin B(Homo sapiens (Human))
The University Of Arizona

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  0.210nMAssay Description:FRET-based enzymatic assay.More data for this Ligand-Target Pair
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In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  53nMAssay Description:Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins follow...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  53nMAssay Description:Recombinant SARS-CoV-2 Mpro was expressed and purified from Escherichia coli (E. coli) (18, 25). A fluorescently labeled substrate, MCA-AVLQ SGFR-Lys...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataEC50:  530nMAssay Description:In vitro inhibition of viral main protease inhibitors against SARS-CoV-2. (A and B) Vero E6 cells were treated with a series concentration of indicat...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB