BDBM420295 alpha-ketoamide inhibitor 13b::med.21724, Compound 67

SMILES CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O

InChI Key InChIKey=NLVRHQFXQFSBQK-UHFFFAOYSA-N

Data  16 IC50  2 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 18 hits for monomerid = 420295   

TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 670nMAssay Description:Inhibition of recombinant SARS-CoV-2 Main proteaseMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 670nMAssay Description:Inhibition of recombinant SARS-COV2 main proteaseMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 670nMAssay Description:Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate by FRET analysisMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 670nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 670nMAssay Description:Inhibition of SARS-CoV-2 Main protease transfected in Escherichia coli BL21-Gold (DE3) using (Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate by FRET ...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 670nMAssay Description:Inhibition of SARS-CoV-2 Main protease by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 900nMAssay Description:Inhibition of SARS-CoV-1 MProMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 900nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 900nMAssay Description:Inhibition of SARS-CoV-1 MProMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab [3264-3569](2019-nCoV)
University of Lubeck

LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 670nMAssay Description:A fluorescent substrate harboring the cleavage site (indicated by the arrow, ↓) of SARS-CoV-2 Mpro(Dabcyl-KTSAVLQ↓SGFRKM-E(Edans)-NH2; GL...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 900nMAssay Description:Inhibition of C-terminal 6-His-tagged recombinant SARS CoV 3CL protease expressed in Escherichia coli BL21-Gold DE3 cells by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 670nMAssay Description:Inhibition of C-terminal 6-His-tagged recombinant SARS CoV-2 3CL protease expressed in Escherichia coli BL21-Gold DE3 cells by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 120nMAssay Description:Inhibition of recombinant SARS-COV2 main protease using DabcylKTSAVLQISGFRKM-E(Edans)-N1-as substrate by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataEC50:  4.50E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataEC50:  1.75E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetOrf1a protein(MERS-CoV)
University of Bonn

LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 580nMAssay Description:This is a review article.More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 900nMAssay Description:This is a review article.More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Niddk

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 670nMAssay Description:This is a review article.More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed