BDBM50405454 CHEMBL4850298

SMILES CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)OCc2ccccc2

InChI Key InChIKey=QYENXTYKACLCGO-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50405454   

TargetReplicase polyprotein 1a(SARS-CoV)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50405454(CHEMBL4850298 | US12180156, Parental aldehyde)
Affinity DataIC50: 70nMAssay Description:Inhibition of SARS-CoV MPro transfected in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate preincubated for 15 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Wichita State University

Curated by ChEMBL
LigandPNGBDBM50405454(CHEMBL4850298 | US12180156, Parental aldehyde)
Affinity DataIC50: 380nMAssay Description:Inhibition of N-terminal His6-tagged full length SARS-CoV-2 3CLpro using FAM-SAVLQ as substrate preincubated with enzyme for 1 hr followed by susbtra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Wichita State University

Curated by ChEMBL
LigandPNGBDBM50405454(CHEMBL4850298 | US12180156, Parental aldehyde)
Affinity DataIC50: 400nMAssay Description:Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Wichita State University

Curated by ChEMBL
LigandPNGBDBM50405454(CHEMBL4850298 | US12180156, Parental aldehyde)
Affinity DataIC50: 400nMAssay Description:Inhibition of SARS-CoV-2 3CL protease measured after 10 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Wichita State University

Curated by ChEMBL
LigandPNGBDBM50405454(CHEMBL4850298 | US12180156, Parental aldehyde)
Affinity DataIC50: 400nMAssay Description:Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using Abz-SVTLQSG-Y(NO2)-R as substrate incubated for 10 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Wichita State University

Curated by ChEMBL
LigandPNGBDBM50405454(CHEMBL4850298 | US12180156, Parental aldehyde)
Affinity DataEC50:  500nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2025
Entry Details
US Patent