BDBM429372 MPI2::med.21724, Compound 43

SMILES Fc1cc(Cl)ccc1\C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O

InChI Key InChIKey=HXAHMXYAYHWWRI-UHFFFAOYSA-N

Data  1 KI  4 IC50  1 EC50

  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 5 hits for monomerid = 429372   

TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandPNGBDBM429372(med.21724, Compound 43 | MPI2)
Affinity DataIC50: 200nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetOrf1a protein(MERS-CoV)
University of Bonn

LigandPNGBDBM429372(med.21724, Compound 43 | MPI2)
Affinity DataIC50: 1.70E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM429372(med.21724, Compound 43 | MPI2)
Affinity DataIC50: 103nMAssay Description:Inhibition of SARS-CoV-2 main proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM429372(med.21724, Compound 43 | MPI2)
Affinity DataEC50: >2.00E+3nMAssay Description:Inhibition of SARS-CoV-2 main protease by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM429372(med.21724, Compound 43 | MPI2)
Affinity DataKi:  101nM IC50: 103nMAssay 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
In Depth
Date in BDB:
1/31/2021
Entry Details Article
PubMed